N-[[(1R)-1-(3-chloro-4-hydroxyphenyl)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]carbamoyl]formamide

C19H18ClN3O5 — CID 89205593

IUPACN-[[(1R)-1-(3-chloro-4-hydroxyphenyl)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]carbamoyl]formamide
SMILESCOc1ccc2c(c1)C(=O)N(C[C@H](NC(=O)NC=O)c1ccc(O)c(Cl)c1)C2
InChIInChI=1S/C19H18ClN3O5/c1-28-13-4-2-12-8-23(18(26)14(12)7-13)9-16(22-19(27)21-10-24)11-3-5-17(25)15(20)6-11/h2-7,10,16,25H,8-9H2,1H3,(H2,21,22,24,27)/t16-/m0/s1
InChIKeyFGAFSSKUAVHLNX-INIZCTEOSA-N
MW403.82 g/mol
LogP2.21
Rot. Bonds6

About N-[[(1R)-1-(3-chloro-4-hydroxyphenyl)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]carbamoyl]formamide

N-[[(1R)-1-(3-chloro-4-hydroxyphenyl)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]carbamoyl]formamide (PubChem CID 89205593) has the molecular formula C19H18ClN3O5 and a molecular weight of 403.82 g/mol. Its IUPAC name is N-[[(1R)-1-(3-chloro-4-hydroxyphenyl)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]carbamoyl]formamide.

Molecular Properties

Compound NameN-[[(1R)-1-(3-chloro-4-hydroxyphenyl)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]carbamoyl]formamide
PubChem CID89205593
Molecular FormulaC19H18ClN3O5
Molecular Weight403.82 g/mol
Exact Mass403.09
IUPAC NameN-[[(1R)-1-(3-chloro-4-hydroxyphenyl)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]carbamoyl]formamide
SMILESCOc1ccc2c(c1)C(=O)N(C[C@H](NC(=O)NC=O)c1ccc(O)c(Cl)c1)C2
InChIInChI=1S/C19H18ClN3O5/c1-28-13-4-2-12-8-23(18(26)14(12)7-13)9-16(22-19(27)21-10-24)11-3-5-17(25)15(20)6-11/h2-7,10,16,25H,8-9H2,1H3,(H2,21,22,24,27)/t16-/m0/s1
InChIKeyFGAFSSKUAVHLNX-INIZCTEOSA-N
XLogP2.21
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.82
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[[(1R)-1-(3-chloro-4-hydroxyphenyl)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]carbamoyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(1R)-1-(formylcarbamoylamino)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]phenyl]cyclopropane-1-carboxamide
CID 88570087
N-[[(1S)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-(1H-pyrazol-5-yl)ethyl]carbamoyl]formamide
CID 89205741
N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide
CID 88973858
N-[[(1R)-2-(5-ethoxy-3-oxo-1H-isoindol-2-yl)-1-(2-methylindazol-6-yl)ethyl]carbamoyl]formamide
CID 89197465
N-[[(2R)-4-(3,5-difluorophenyl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)butan-2-yl]carbamoyl]formamide
CID 88973971
N-[[(1R)-1-[4-[7-(cyclopropylmethyl)purin-6-yl]phenyl]-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]carbamoyl]formamide
CID 89093416
N-[[(2R)-4-(5-chloro-3-pyridinyl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)but-3-yn-2-yl]carbamoyl]formamide
CID 89039683
N-[[(1R)-2-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethyl]carbamoyl]formamide
CID 88973936
N-[[(2R)-4-(4,5-difluoro-2-methoxyphenyl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)but-3-yn-2-yl]carbamoyl]formamide
CID 89180289
N-[[(2R)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)-4-(2-propan-2-ylphenyl)but-3-yn-2-yl]carbamoyl]formamide
CID 89039899
N-[[(2S)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)-4-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-oxobutan-2-yl]carbamoyl]formamide
CID 88568173
N-[[1-[5-[(cyclohexylamino)methyl]-1-benzofuran-2-yl]-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]carbamoyl]formamide
CID 91201219

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-1-(3-chloro-4-hydroxyphenyl)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]carbamoyl]formamide?
The IUPAC name of N-[[(1R)-1-(3-chloro-4-hydroxyphenyl)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]carbamoyl]formamide (CID 89205593) is N-[[(1R)-1-(3-chloro-4-hydroxyphenyl)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]carbamoyl]formamide.
What is the SMILES notation for N-[[(1R)-1-(3-chloro-4-hydroxyphenyl)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]carbamoyl]formamide?
The canonical SMILES for N-[[(1R)-1-(3-chloro-4-hydroxyphenyl)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]carbamoyl]formamide is COc1ccc2c(c1)C(=O)N(C[C@H](NC(=O)NC=O)c1ccc(O)c(Cl)c1)C2.
What is the InChIKey of N-[[(1R)-1-(3-chloro-4-hydroxyphenyl)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]carbamoyl]formamide?
The InChIKey is FGAFSSKUAVHLNX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18ClN3O5/c1-28-13-4-2-12-8-23(18(26)14(12)7-13)9-16(22-19(27)21-10-24)11-3-5-17(25)15(20)6-11/h2-7,10,16,25H,8-9H2,1H3,(H2,21,22,24,27)/t16-/m0/s1.
What are the key properties of N-[[(1R)-1-(3-chloro-4-hydroxyphenyl)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]carbamoyl]formamide?
N-[[(1R)-1-(3-chloro-4-hydroxyphenyl)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]carbamoyl]formamide has a molecular weight of 403.82 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-1-(3-chloro-4-hydroxyphenyl)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]carbamoyl]formamide is sourced from PubChem (CID 89205593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).