N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-methoxybenzamide

C17H18BrNO2 — CID 51948773

IUPACN-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N[C@H](C)Cc1ccc(Br)cc1
InChIInChI=1S/C17H18BrNO2/c1-12(11-13-7-9-14(18)10-8-13)19-17(20)15-5-3-4-6-16(15)21-2/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyOFNUOGQJIHAPNV-GFCCVEGCSA-N
MW348.24 g/mol
LogP3.82
Rot. Bonds5

About N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-methoxybenzamide

N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-methoxybenzamide (PubChem CID 51948773) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-methoxybenzamide
PubChem CID51948773
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC NameN-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N[C@H](C)Cc1ccc(Br)cc1
InChIInChI=1S/C17H18BrNO2/c1-12(11-13-7-9-14(18)10-8-13)19-17(20)15-5-3-4-6-16(15)21-2/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyOFNUOGQJIHAPNV-GFCCVEGCSA-N
XLogP3.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 51891666
N-butan-2-yl-2-methoxybenzamide
CID 3117660
(3R)-3-[(2-methoxybenzoyl)amino]butanoic acid
CID 93262749
2-methoxy-N-[(2S)-1-methylsulfanylpropan-2-yl]benzamide
CID 58370506
3-methoxy-N-[(2S)-1-phenylpropan-2-yl]naphthalene-2-carboxamide
CID 706056
N-[4-(4-bromophenyl)butan-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 60566470
2-amino-4-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzamide
CID 79705015
2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94867704
5-bromo-2-hydroxy-N-(1-phenylpropan-2-yl)benzamide
CID 107729749
4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide
CID 115369589
N-butan-2-yl-2-[(2-methoxybenzoyl)amino]benzamide
CID 3936748
3-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
CID 106544298

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-methoxybenzamide (CID 51948773) is N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)N[C@H](C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-methoxybenzamide?
The InChIKey is OFNUOGQJIHAPNV-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-12(11-13-7-9-14(18)10-8-13)19-17(20)15-5-3-4-6-16(15)21-2/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-methoxybenzamide?
N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-methoxybenzamide has a molecular weight of 348.24 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 51948773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).