N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-4-hydroxy-3,5-dimethoxybenzamide

C18H18ClNO4 — CID 122149915

IUPACN-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-4-hydroxy-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)cc(OC)c1O
InChIInChI=1S/C18H18ClNO4/c1-23-15-7-11(8-16(24-2)17(15)21)18(22)20-14-9-13(14)10-4-3-5-12(19)6-10/h3-8,13-14,21H,9H2,1-2H3,(H,20,22)/t13-,14+/m0/s1
InChIKeyLAGLHYLWEJSSGB-UONOGXRCSA-N
MW347.80 g/mol
LogP3.35
Rot. Bonds5

About N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-4-hydroxy-3,5-dimethoxybenzamide

N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-4-hydroxy-3,5-dimethoxybenzamide (PubChem CID 122149915) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-4-hydroxy-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-4-hydroxy-3,5-dimethoxybenzamide
PubChem CID122149915
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC NameN-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-4-hydroxy-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)cc(OC)c1O
InChIInChI=1S/C18H18ClNO4/c1-23-15-7-11(8-16(24-2)17(15)21)18(22)20-14-9-13(14)10-4-3-5-12(19)6-10/h3-8,13-14,21H,9H2,1-2H3,(H,20,22)/t13-,14+/m0/s1
InChIKeyLAGLHYLWEJSSGB-UONOGXRCSA-N
XLogP3.35
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-4-hydroxy-3,5-dimethoxybenzamide 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

4-(2-amino-2-oxoethoxy)-3-chloro-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-5-methoxybenzamide
CID 120606571
2-N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]thiophene-2,4-dicarboxamide
CID 95775212
3-hydroxy-4-methoxy-N-(2-phenylcyclopropyl)pyridine-2-carboxamide
CID 142649107
1-[2-(3-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 111770510
N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-ethylpentanamide
CID 159264304
1-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]-3-[4-(dimethylamino)phenyl]urea
CID 99810588
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-3-[4-(dimethylamino)phenyl]urea
CID 99810586
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
N-[2-(2-fluorophenyl)cyclopropyl]-3-hydroxy-4-methoxybenzamide
CID 75424329
N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 95775493
3-[[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122012885
2-(3-chlorophenyl)-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropane-1-carboxamide
CID 86873659

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-4-hydroxy-3,5-dimethoxybenzamide?
The IUPAC name of N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-4-hydroxy-3,5-dimethoxybenzamide (CID 122149915) is N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-4-hydroxy-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-4-hydroxy-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-4-hydroxy-3,5-dimethoxybenzamide is COc1cc(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)cc(OC)c1O.
What is the InChIKey of N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-4-hydroxy-3,5-dimethoxybenzamide?
The InChIKey is LAGLHYLWEJSSGB-UONOGXRCSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-23-15-7-11(8-16(24-2)17(15)21)18(22)20-14-9-13(14)10-4-3-5-12(19)6-10/h3-8,13-14,21H,9H2,1-2H3,(H,20,22)/t13-,14+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-4-hydroxy-3,5-dimethoxybenzamide?
N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-4-hydroxy-3,5-dimethoxybenzamide has a molecular weight of 347.80 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-4-hydroxy-3,5-dimethoxybenzamide is sourced from PubChem (CID 122149915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).