N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide

C19H22ClNO3 — CID 8751607

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1OCC
InChIInChI=1S/C19H22ClNO3/c1-4-23-17-11-8-15(12-18(17)24-5-2)19(22)21-13(3)14-6-9-16(20)10-7-14/h6-13H,4-5H2,1-3H3,(H,21,22)/t13-/m0/s1
InChIKeyFCPHUDBRGNPPKO-ZDUSSCGKSA-N
MW347.84 g/mol
LogP4.63
Rot. Bonds7

About N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide (PubChem CID 8751607) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
PubChem CID8751607
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1OCC
InChIInChI=1S/C19H22ClNO3/c1-4-23-17-11-8-15(12-18(17)24-5-2)19(22)21-13(3)14-6-9-16(20)10-7-14/h6-13H,4-5H2,1-3H3,(H,21,22)/t13-/m0/s1
InChIKeyFCPHUDBRGNPPKO-ZDUSSCGKSA-N
XLogP4.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide 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

3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 43022798
3-chloro-4-ethoxy-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 133256897
3-(4-chlorophenyl)-3-[(3,4-diethoxybenzoyl)amino]propanoate
CID 3434249
4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 2450618
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
CID 7936483
N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 134013068
N-[(1S)-1-(4-bromophenyl)ethyl]-4-ethoxy-3-methylbenzamide
CID 28558276
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705940
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 30035134
N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(methoxymethyl)benzamide
CID 133179095

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide (CID 8751607) is N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1OCC.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide?
The InChIKey is FCPHUDBRGNPPKO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-4-23-17-11-8-15(12-18(17)24-5-2)19(22)21-13(3)14-6-9-16(20)10-7-14/h6-13H,4-5H2,1-3H3,(H,21,22)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide has a molecular weight of 347.84 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 8751607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).