(2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-phenylpentanamide

C19H21BrN2O2 — CID 9440741

IUPAC(2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-phenylpentanamide
SMILESCCC[C@H](C(=O)NCC(=O)Nc1ccccc1Br)c1ccccc1
InChIInChI=1S/C19H21BrN2O2/c1-2-8-15(14-9-4-3-5-10-14)19(24)21-13-18(23)22-17-12-7-6-11-16(17)20/h3-7,9-12,15H,2,8,13H2,1H3,(H,21,24)(H,22,23)/t15-/m0/s1
InChIKeyQJWREBSGDWFHPW-HNNXBMFYSA-N
MW389.29 g/mol
LogP4.09
Rot. Bonds7

About (2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-phenylpentanamide

(2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-phenylpentanamide (PubChem CID 9440741) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is (2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-phenylpentanamide.

Molecular Properties

Compound Name(2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-phenylpentanamide
PubChem CID9440741
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name(2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-phenylpentanamide
SMILESCCC[C@H](C(=O)NCC(=O)Nc1ccccc1Br)c1ccccc1
InChIInChI=1S/C19H21BrN2O2/c1-2-8-15(14-9-4-3-5-10-14)19(24)21-13-18(23)22-17-12-7-6-11-16(17)20/h3-7,9-12,15H,2,8,13H2,1H3,(H,21,24)(H,22,23)/t15-/m0/s1
InChIKeyQJWREBSGDWFHPW-HNNXBMFYSA-N
XLogP4.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylphenyl)-2-phenylpentanamide
CID 78775166
N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide
CID 18112658
N-(2-bromophenyl)-2-propylpentanamide
CID 115532233
N-(3-acetamido-2-methylphenyl)-2-phenylpentanamide
CID 134019127
N-(4-bromo-3-methylphenyl)-2-phenylpentanamide
CID 16552824
N-[2-(2-bromoanilino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 17475044
N-(2-bromophenyl)-2-(hexan-2-ylamino)acetamide
CID 55050254
N-(2-bromophenyl)butanamide
CID 732405
(2S)-2-[(2-bromophenyl)carbamoylamino]pentanoic acid
CID 107566056
N-(2-bromophenyl)-2-(hexylamino)acetamide
CID 60648819
(2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 17434958
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-phenylpentanamide?
The IUPAC name of (2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-phenylpentanamide (CID 9440741) is (2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-phenylpentanamide.
What is the SMILES notation for (2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-phenylpentanamide?
The canonical SMILES for (2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-phenylpentanamide is CCC[C@H](C(=O)NCC(=O)Nc1ccccc1Br)c1ccccc1.
What is the InChIKey of (2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-phenylpentanamide?
The InChIKey is QJWREBSGDWFHPW-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-2-8-15(14-9-4-3-5-10-14)19(24)21-13-18(23)22-17-12-7-6-11-16(17)20/h3-7,9-12,15H,2,8,13H2,1H3,(H,21,24)(H,22,23)/t15-/m0/s1.
What are the key properties of (2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-phenylpentanamide?
(2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-phenylpentanamide has a molecular weight of 389.29 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-phenylpentanamide is sourced from PubChem (CID 9440741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).