N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-2-bromobenzamide

C19H21BrN2O2 — CID 17391425

IUPACN-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-2-bromobenzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NCc1ccccc1
InChIInChI=1S/C19H21BrN2O2/c1-13(2)17(19(24)21-12-14-8-4-3-5-9-14)22-18(23)15-10-6-7-11-16(15)20/h3-11,13,17H,12H2,1-2H3,(H,21,24)(H,22,23)/t17-/m0/s1
InChIKeyCWPVNYODNUDRQN-KRWDZBQOSA-N
MW389.29 g/mol
LogP3.52
Rot. Bonds6

About N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-2-bromobenzamide

N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-2-bromobenzamide (PubChem CID 17391425) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-2-bromobenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-2-bromobenzamide
PubChem CID17391425
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC NameN-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-2-bromobenzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NCc1ccccc1
InChIInChI=1S/C19H21BrN2O2/c1-13(2)17(19(24)21-12-14-8-4-3-5-9-14)22-18(23)15-10-6-7-11-16(15)20/h3-11,13,17H,12H2,1-2H3,(H,21,24)(H,22,23)/t17-/m0/s1
InChIKeyCWPVNYODNUDRQN-KRWDZBQOSA-N
XLogP3.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(2R)-1-[(6-methoxynaphthalen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
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CID 18774967
2-bromo-N-[(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 26007101
N-benzyl-3-methyl-2-(methylamino)butanamide
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(2R)-N-benzyl-2-(chloroamino)-3-methylbutanamide
CID 88902404
2-methyl-N-[3-methyl-1-[(3-methylphenyl)methylamino]-1-oxobutan-2-yl]benzamide
CID 134003542
2-(benzylcarbamoylamino)-N-[(3-bromophenyl)methyl]-3-methylbutanamide
CID 55596529
2-fluoro-N-[1-[(3-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 46447828
benzyl N-[(2S)-1-[2-(2-bromobenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 27672142
N-[1-[[4-(dimethylcarbamoyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 134039160
methyl 4-[[[3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]amino]methyl]benzoate
CID 46559699
2-chloro-N-[1-[(4-cyanophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-2-bromobenzamide?
The IUPAC name of N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-2-bromobenzamide (CID 17391425) is N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-2-bromobenzamide.
What is the SMILES notation for N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-2-bromobenzamide?
The canonical SMILES for N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-2-bromobenzamide is CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NCc1ccccc1.
What is the InChIKey of N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-2-bromobenzamide?
The InChIKey is CWPVNYODNUDRQN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-13(2)17(19(24)21-12-14-8-4-3-5-9-14)22-18(23)15-10-6-7-11-16(15)20/h3-11,13,17H,12H2,1-2H3,(H,21,24)(H,22,23)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-2-bromobenzamide?
N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-2-bromobenzamide has a molecular weight of 389.29 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-2-bromobenzamide is sourced from PubChem (CID 17391425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).