(2S)-N-(3-bromophenyl)-2-(2-methoxyanilino)propanamide

C16H17BrN2O2 — CID 9273986

IUPAC(2S)-N-(3-bromophenyl)-2-(2-methoxyanilino)propanamide
SMILESCOc1ccccc1N[C@@H](C)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O2/c1-11(18-14-8-3-4-9-15(14)21-2)16(20)19-13-7-5-6-12(17)10-13/h3-11,18H,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyYDXZOVZHIACVNP-NSHDSACASA-N
MW349.23 g/mol
LogP3.90
Rot. Bonds5

About (2S)-N-(3-bromophenyl)-2-(2-methoxyanilino)propanamide

(2S)-N-(3-bromophenyl)-2-(2-methoxyanilino)propanamide (PubChem CID 9273986) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is (2S)-N-(3-bromophenyl)-2-(2-methoxyanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-bromophenyl)-2-(2-methoxyanilino)propanamide
PubChem CID9273986
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name(2S)-N-(3-bromophenyl)-2-(2-methoxyanilino)propanamide
SMILESCOc1ccccc1N[C@@H](C)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O2/c1-11(18-14-8-3-4-9-15(14)21-2)16(20)19-13-7-5-6-12(17)10-13/h3-11,18H,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyYDXZOVZHIACVNP-NSHDSACASA-N
XLogP3.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-methoxyanilino)-N-phenylpropanamide
CID 41042195
N-(3-cyanophenyl)-2-(2-methoxyanilino)propanamide
CID 17397309
N-(3-bromophenyl)-2-(4-methoxyanilino)propanamide
CID 51242436
N-(3-bromophenyl)-2-(2-methoxyphenoxy)propanamide
CID 17252166
(2R)-2-(2-methoxyanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9274065
(2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide
CID 2464663
(2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 35922425
N-(3-bromophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 112798835
3-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 17485799
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
(2S)-2-(2-methoxyanilino)-N-(4-sulfamoylphenyl)propanamide
CID 7777353
1-N-(3-bromophenyl)-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982976

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-bromophenyl)-2-(2-methoxyanilino)propanamide?
The IUPAC name of (2S)-N-(3-bromophenyl)-2-(2-methoxyanilino)propanamide (CID 9273986) is (2S)-N-(3-bromophenyl)-2-(2-methoxyanilino)propanamide.
What is the SMILES notation for (2S)-N-(3-bromophenyl)-2-(2-methoxyanilino)propanamide?
The canonical SMILES for (2S)-N-(3-bromophenyl)-2-(2-methoxyanilino)propanamide is COc1ccccc1N[C@@H](C)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of (2S)-N-(3-bromophenyl)-2-(2-methoxyanilino)propanamide?
The InChIKey is YDXZOVZHIACVNP-NSHDSACASA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11(18-14-8-3-4-9-15(14)21-2)16(20)19-13-7-5-6-12(17)10-13/h3-11,18H,1-2H3,(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-N-(3-bromophenyl)-2-(2-methoxyanilino)propanamide?
(2S)-N-(3-bromophenyl)-2-(2-methoxyanilino)propanamide has a molecular weight of 349.23 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-bromophenyl)-2-(2-methoxyanilino)propanamide is sourced from PubChem (CID 9273986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).