[2-[[4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamic acid

C20H16ClN3O4 — CID 68713665

IUPAC[2-[[4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamic acid
SMILESO=C(O)Nc1ccccc1NC(=O)c1ccc(-c2ncc(CO)cc2Cl)cc1
InChIInChI=1S/C20H16ClN3O4/c21-15-9-12(11-25)10-22-18(15)13-5-7-14(8-6-13)19(26)23-16-3-1-2-4-17(16)24-20(27)28/h1-10,24-25H,11H2,(H,23,26)(H,27,28)
InChIKeyDHIHFOGODFJPJV-UHFFFAOYSA-N
MW397.82 g/mol
LogP4.24
Rot. Bonds5

About [2-[[4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamic acid

[2-[[4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamic acid (PubChem CID 68713665) has the molecular formula C20H16ClN3O4 and a molecular weight of 397.82 g/mol. Its IUPAC name is [2-[[4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamic acid.

Molecular Properties

Compound Name[2-[[4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamic acid
PubChem CID68713665
Molecular FormulaC20H16ClN3O4
Molecular Weight397.82 g/mol
Exact Mass397.08
IUPAC Name[2-[[4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamic acid
SMILESO=C(O)Nc1ccccc1NC(=O)c1ccc(-c2ncc(CO)cc2Cl)cc1
InChIInChI=1S/C20H16ClN3O4/c21-15-9-12(11-25)10-22-18(15)13-5-7-14(8-6-13)19(26)23-16-3-1-2-4-17(16)24-20(27)28/h1-10,24-25H,11H2,(H,23,26)(H,27,28)
InChIKeyDHIHFOGODFJPJV-UHFFFAOYSA-N
XLogP4.24
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.82
LogP ≤ 54.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [2-[[4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamic acid 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

N-(2-aminophenyl)-4-[3-chloro-5-[(propan-2-ylamino)methyl]-2-pyridinyl]benzamide
CID 11538465
N-(2-aminophenyl)-4-[3-chloro-5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide
CID 11495172
[2-[[4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]benzoyl]amino]phenyl]carbamic acid
CID 69070231
N-(2-aminophenyl)-4-[3-chloro-5-[(2-propoxyethylamino)methyl]-2-pyridinyl]benzamide
CID 11532228
N-(2-aminophenyl)-4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]benzamide
CID 11530585
4-[3-chloro-5-(2-methoxyethoxymethoxy)-2-pyridinyl]-N-phenylbenzamide
CID 173185898
N-(2-aminophenyl)-4-[5-(butylaminomethyl)-3-methyl-2-pyridinyl]benzamide
CID 11718037
N-(2-aminophenyl)-4-[5-[(2-ethoxyethylamino)methyl]-3-methyl-2-pyridinyl]benzamide
CID 11632795
3,4-dichloro-N-(2-phenylphenyl)benzamide
CID 7746275
[2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid
CID 135156525
N-(2,3-dichlorophenyl)-4-phenylbenzamide
CID 3094078
6-chloro-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 60655184

Frequently Asked Questions

What is the IUPAC name of [2-[[4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamic acid?
The IUPAC name of [2-[[4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamic acid (CID 68713665) is [2-[[4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamic acid.
What is the SMILES notation for [2-[[4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamic acid?
The canonical SMILES for [2-[[4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamic acid is O=C(O)Nc1ccccc1NC(=O)c1ccc(-c2ncc(CO)cc2Cl)cc1.
What is the InChIKey of [2-[[4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamic acid?
The InChIKey is DHIHFOGODFJPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O4/c21-15-9-12(11-25)10-22-18(15)13-5-7-14(8-6-13)19(26)23-16-3-1-2-4-17(16)24-20(27)28/h1-10,24-25H,11H2,(H,23,26)(H,27,28).
What are the key properties of [2-[[4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamic acid?
[2-[[4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamic acid has a molecular weight of 397.82 g/mol, XLogP of 4.24, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamic acid is sourced from PubChem (CID 68713665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).