N-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]-2-methoxybenzamide

C19H21BrN2O3 — CID 40791696

IUPACN-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]-2-methoxybenzamide
SMILESCC[C@@H](NC(=O)CNC(=O)c1ccccc1OC)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O3/c1-3-16(13-8-10-14(20)11-9-13)22-18(23)12-21-19(24)15-6-4-5-7-17(15)25-2/h4-11,16H,3,12H2,1-2H3,(H,21,24)(H,22,23)/t16-/m1/s1
InChIKeyRAHSTYWGXOSRRG-MRXNPFEDSA-N
MW405.29 g/mol
LogP3.45
Rot. Bonds7

About N-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]-2-methoxybenzamide

N-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]-2-methoxybenzamide (PubChem CID 40791696) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is N-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]-2-methoxybenzamide
PubChem CID40791696
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC NameN-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]-2-methoxybenzamide
SMILESCC[C@@H](NC(=O)CNC(=O)c1ccccc1OC)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O3/c1-3-16(13-8-10-14(20)11-9-13)22-18(23)12-21-19(24)15-6-4-5-7-17(15)25-2/h4-11,16H,3,12H2,1-2H3,(H,21,24)(H,22,23)/t16-/m1/s1
InChIKeyRAHSTYWGXOSRRG-MRXNPFEDSA-N
XLogP3.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromoanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26537380
N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
CID 2687892
N-[2-[2-[1-(4-bromophenyl)ethenyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 2195691
2-methyl-N-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]benzamide
CID 95763013
N-[2-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 4311904
3-bromo-N-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethyl]benzamide
CID 24547680
5-bromo-N-[2-[1-(4-bromophenyl)propylamino]-2-oxoethyl]furan-2-carboxamide
CID 43011607
N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 112772541
N-[1-(4-bromophenyl)propyl]-2-(2-methoxyethylamino)acetamide
CID 78914131
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 7522196
methyl 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]-3-phenylpropanoate
CID 24554412
2-methoxy-N-[2-oxo-2-[[(1S)-1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethyl]amino]ethyl]benzamide
CID 99800960

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]-2-methoxybenzamide (CID 40791696) is N-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]-2-methoxybenzamide is CC[C@@H](NC(=O)CNC(=O)c1ccccc1OC)c1ccc(Br)cc1.
What is the InChIKey of N-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]-2-methoxybenzamide?
The InChIKey is RAHSTYWGXOSRRG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-3-16(13-8-10-14(20)11-9-13)22-18(23)12-21-19(24)15-6-4-5-7-17(15)25-2/h4-11,16H,3,12H2,1-2H3,(H,21,24)(H,22,23)/t16-/m1/s1.
What are the key properties of N-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]-2-methoxybenzamide?
N-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]-2-methoxybenzamide has a molecular weight of 405.29 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]-2-methoxybenzamide is sourced from PubChem (CID 40791696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).