N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(ethylamino)benzamide

C17H19ClN2O — CID 81356651

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-2-(ethylamino)benzamide
SMILESCCNc1ccccc1C(=O)N[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-3-19-16-7-5-4-6-15(16)17(21)20-12(2)13-8-10-14(18)11-9-13/h4-12,19H,3H2,1-2H3,(H,20,21)/t12-/m0/s1
InChIKeyKMGRQHQEGNPJBQ-LBPRGKRZSA-N
MW302.81 g/mol
LogP4.26
Rot. Bonds5

About N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(ethylamino)benzamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(ethylamino)benzamide (PubChem CID 81356651) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(ethylamino)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-(ethylamino)benzamide
PubChem CID81356651
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-(ethylamino)benzamide
SMILESCCNc1ccccc1C(=O)N[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-3-19-16-7-5-4-6-15(16)17(21)20-12(2)13-8-10-14(18)11-9-13/h4-12,19H,3H2,1-2H3,(H,20,21)/t12-/m0/s1
InChIKeyKMGRQHQEGNPJBQ-LBPRGKRZSA-N
XLogP4.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
2-(ethylamino)-N-[(1R)-1-(3-methylphenyl)ethyl]benzamide
CID 81368098
2-(ethylamino)-N-(1-thiophen-3-ylethyl)benzamide
CID 55127001
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(ethylamino)benzamide
CID 81381793
2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
CID 43399735
N-but-3-yn-2-yl-2-(ethylamino)benzamide
CID 114418246
2-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzamide
CID 62169362
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242817
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242814
2-(ethylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 62171900
2-(ethylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168319

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(ethylamino)benzamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(ethylamino)benzamide (CID 81356651) is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(ethylamino)benzamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(ethylamino)benzamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(ethylamino)benzamide is CCNc1ccccc1C(=O)N[C@@H](C)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(ethylamino)benzamide?
The InChIKey is KMGRQHQEGNPJBQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-3-19-16-7-5-4-6-15(16)17(21)20-12(2)13-8-10-14(18)11-9-13/h4-12,19H,3H2,1-2H3,(H,20,21)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(ethylamino)benzamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(ethylamino)benzamide has a molecular weight of 302.81 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(ethylamino)benzamide is sourced from PubChem (CID 81356651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).