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

C15H14Cl2N2O — CID 81372128

IUPAC4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(N)c(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c1-9(10-3-2-4-12(16)7-10)19-15(20)11-5-6-14(18)13(17)8-11/h2-9H,18H2,1H3,(H,19,20)/t9-/m0/s1
InChIKeyWOUBKWQWNOSBBO-VIFPVBQESA-N
MW309.20 g/mol
LogP4.07
Rot. Bonds3

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

4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide (PubChem CID 81372128) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
PubChem CID81372128
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(N)c(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c1-9(10-3-2-4-12(16)7-10)19-15(20)11-5-6-14(18)13(17)8-11/h2-9H,18H2,1H3,(H,19,20)/t9-/m0/s1
InChIKeyWOUBKWQWNOSBBO-VIFPVBQESA-N
XLogP4.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-methylbenzamide
CID 81371582
4-amino-3-chloro-N-[(1S)-1-(3-methylphenyl)ethyl]benzamide
CID 81360388
4-amino-3-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372627
4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81403929
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
CID 7944591
5-amino-N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylbenzamide
CID 102705159
N-[1-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213045
N-[1-(3-chlorophenyl)ethyl]-3-sulfanylbenzamide
CID 107025485
2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372365
4-amino-3-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81368815
4-amino-3-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 66196616
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 27769378

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide?
The IUPAC name of 4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide (CID 81372128) is 4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide?
The canonical SMILES for 4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide is C[C@H](NC(=O)c1ccc(N)c(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of 4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide?
The InChIKey is WOUBKWQWNOSBBO-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-9(10-3-2-4-12(16)7-10)19-15(20)11-5-6-14(18)13(17)8-11/h2-9H,18H2,1H3,(H,19,20)/t9-/m0/s1.
What are the key properties of 4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide?
4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide has a molecular weight of 309.20 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide is sourced from PubChem (CID 81372128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).