N-[(2R)-3-(3,4-dichlorophenyl)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]formamide

C15H18Cl2N2O3 — CID 124729956

IUPACN-[(2R)-3-(3,4-dichlorophenyl)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]formamide
SMILESC[C@H]1COCCN1C(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)NC=O
InChIInChI=1S/C15H18Cl2N2O3/c1-10-8-22-5-4-19(10)15(21)14(18-9-20)7-11-2-3-12(16)13(17)6-11/h2-3,6,9-10,14H,4-5,7-8H2,1H3,(H,18,20)/t10-,14+/m0/s1
InChIKeyGVDMRCATLLOAPF-IINYFYTJSA-N
MW345.23 g/mol
LogP1.90
Rot. Bonds5

About N-[(2R)-3-(3,4-dichlorophenyl)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]formamide

N-[(2R)-3-(3,4-dichlorophenyl)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]formamide (PubChem CID 124729956) has the molecular formula C15H18Cl2N2O3 and a molecular weight of 345.23 g/mol. Its IUPAC name is N-[(2R)-3-(3,4-dichlorophenyl)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]formamide.

Molecular Properties

Compound NameN-[(2R)-3-(3,4-dichlorophenyl)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]formamide
PubChem CID124729956
Molecular FormulaC15H18Cl2N2O3
Molecular Weight345.23 g/mol
Exact Mass344.07
IUPAC NameN-[(2R)-3-(3,4-dichlorophenyl)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]formamide
SMILESC[C@H]1COCCN1C(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)NC=O
InChIInChI=1S/C15H18Cl2N2O3/c1-10-8-22-5-4-19(10)15(21)14(18-9-20)7-11-2-3-12(16)13(17)6-11/h2-3,6,9-10,14H,4-5,7-8H2,1H3,(H,18,20)/t10-,14+/m0/s1
InChIKeyGVDMRCATLLOAPF-IINYFYTJSA-N
XLogP1.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(4-hydroxyphenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
CID 106774255
2-(4-chlorophenyl)-1-(3-methylmorpholin-4-yl)-3-pyridin-4-ylpropan-1-one
CID 110309794
N-[(2R)-1-(3,4-dichlorophenyl)propan-2-yl]formamide
CID 171093295
N-(1-cyanocyclopropyl)-3-(3,4-dichlorophenyl)-2-formamidopropanamide
CID 119040523
4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]morpholine-3-carboxylic acid
CID 119216451
2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone
CID 111432313
(4,5-dichloro-1-methylpyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone
CID 47174397
benzyl (2R)-1-[3-(3,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate
CID 58725970
2-methoxy-1-(3-methylmorpholin-4-yl)propan-1-one
CID 115588328
(4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 43541599
2-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 106774483
2-(4-chlorophenyl)-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110352615

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(3,4-dichlorophenyl)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]formamide?
The IUPAC name of N-[(2R)-3-(3,4-dichlorophenyl)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]formamide (CID 124729956) is N-[(2R)-3-(3,4-dichlorophenyl)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]formamide.
What is the SMILES notation for N-[(2R)-3-(3,4-dichlorophenyl)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]formamide?
The canonical SMILES for N-[(2R)-3-(3,4-dichlorophenyl)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]formamide is C[C@H]1COCCN1C(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)NC=O.
What is the InChIKey of N-[(2R)-3-(3,4-dichlorophenyl)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]formamide?
The InChIKey is GVDMRCATLLOAPF-IINYFYTJSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3/c1-10-8-22-5-4-19(10)15(21)14(18-9-20)7-11-2-3-12(16)13(17)6-11/h2-3,6,9-10,14H,4-5,7-8H2,1H3,(H,18,20)/t10-,14+/m0/s1.
What are the key properties of N-[(2R)-3-(3,4-dichlorophenyl)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]formamide?
N-[(2R)-3-(3,4-dichlorophenyl)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]formamide has a molecular weight of 345.23 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(3,4-dichlorophenyl)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]formamide is sourced from PubChem (CID 124729956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).