N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(dimethylamino)benzamide

C17H19ClN2O — CID 27769378

IUPACN-[(1S)-1-(3-chlorophenyl)ethyl]-4-(dimethylamino)benzamide
SMILESC[C@H](NC(=O)c1ccc(N(C)C)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O/c1-12(14-5-4-6-15(18)11-14)19-17(21)13-7-9-16(10-8-13)20(2)3/h4-12H,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyIJYVGEQVZVFDTH-LBPRGKRZSA-N
MW302.81 g/mol
LogP3.90
Rot. Bonds4

About N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(dimethylamino)benzamide

N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(dimethylamino)benzamide (PubChem CID 27769378) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)ethyl]-4-(dimethylamino)benzamide
PubChem CID27769378
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-[(1S)-1-(3-chlorophenyl)ethyl]-4-(dimethylamino)benzamide
SMILESC[C@H](NC(=O)c1ccc(N(C)C)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O/c1-12(14-5-4-6-15(18)11-14)19-17(21)13-7-9-16(10-8-13)20(2)3/h4-12H,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyIJYVGEQVZVFDTH-LBPRGKRZSA-N
XLogP3.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
CID 7944591
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-methylbenzamide
CID 81371582
N-[1-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213045
4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372128
N-[1-(3-chlorophenyl)ethyl]-3-sulfanylbenzamide
CID 107025485
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 9164695
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 51881405
4-(dimethylamino)-N-(1-pyridin-3-ylethyl)benzamide
CID 51192997
N-[1-(3-chlorophenyl)ethyl]furan-3-carboxamide
CID 51264786
4-amino-3-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372627
N-[1-(3-chlorophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide
CID 78773456
N-[1-(3-chlorophenyl)ethyl]-3,5-dinitrobenzamide
CID 78773557

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(dimethylamino)benzamide (CID 27769378) is N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(dimethylamino)benzamide is C[C@H](NC(=O)c1ccc(N(C)C)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(dimethylamino)benzamide?
The InChIKey is IJYVGEQVZVFDTH-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12(14-5-4-6-15(18)11-14)19-17(21)13-7-9-16(10-8-13)20(2)3/h4-12H,1-3H3,(H,19,21)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(dimethylamino)benzamide?
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(dimethylamino)benzamide has a molecular weight of 302.81 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 27769378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).