N-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide

C19H21BrN2O3 — CID 8963066

IUPACN-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide
SMILESCOc1ccc([C@@H](C)NC(=O)CNC(=O)c2cccc(C)c2)cc1Br
InChIInChI=1S/C19H21BrN2O3/c1-12-5-4-6-15(9-12)19(24)21-11-18(23)22-13(2)14-7-8-17(25-3)16(20)10-14/h4-10,13H,11H2,1-3H3,(H,21,24)(H,22,23)/t13-/m1/s1
InChIKeyMSGZWNWKFKNTEK-CYBMUJFWSA-N
MW405.29 g/mol
LogP3.37
Rot. Bonds6

About N-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide

N-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide (PubChem CID 8963066) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is N-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide
PubChem CID8963066
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC NameN-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide
SMILESCOc1ccc([C@@H](C)NC(=O)CNC(=O)c2cccc(C)c2)cc1Br
InChIInChI=1S/C19H21BrN2O3/c1-12-5-4-6-15(9-12)19(24)21-11-18(23)22-13(2)14-7-8-17(25-3)16(20)10-14/h4-10,13H,11H2,1-3H3,(H,21,24)(H,22,23)/t13-/m1/s1
InChIKeyMSGZWNWKFKNTEK-CYBMUJFWSA-N
XLogP3.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 46433680
N-[2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 8963120
N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-3-methylbenzamide
CID 46654447
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide
CID 43701574
2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 43713382
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 8963294
N-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 34675021
N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 51163512
3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60739360
ethyl N-[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate
CID 8962784
ethyl N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate
CID 8962788
3-bromo-4-methoxy-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 24673626

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide (CID 8963066) is N-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide is COc1ccc([C@@H](C)NC(=O)CNC(=O)c2cccc(C)c2)cc1Br.
What is the InChIKey of N-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide?
The InChIKey is MSGZWNWKFKNTEK-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-12-5-4-6-15(9-12)19(24)21-11-18(23)22-13(2)14-7-8-17(25-3)16(20)10-14/h4-10,13H,11H2,1-3H3,(H,21,24)(H,22,23)/t13-/m1/s1.
What are the key properties of N-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide?
N-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide has a molecular weight of 405.29 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 8963066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).