(2S)-N-(2-bromophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide

C18H19BrN2O — CID 51856141

IUPAC(2S)-N-(2-bromophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C18H19BrN2O/c1-13-8-10-14(11-9-13)17-7-4-12-21(17)18(22)20-16-6-3-2-5-15(16)19/h2-3,5-6,8-11,17H,4,7,12H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyBMKZJLKDXKVLDY-KRWDZBQOSA-N
MW359.27 g/mol
LogP5.13
Rot. Bonds2

About (2S)-N-(2-bromophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide

(2S)-N-(2-bromophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 51856141) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is (2S)-N-(2-bromophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-bromophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID51856141
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC Name(2S)-N-(2-bromophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C18H19BrN2O/c1-13-8-10-14(11-9-13)17-7-4-12-21(17)18(22)20-16-6-3-2-5-15(16)19/h2-3,5-6,8-11,17H,4,7,12H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyBMKZJLKDXKVLDY-KRWDZBQOSA-N
XLogP5.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.27
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 86986350
(2R)-N-(2-methylphenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076709
(2R)-N-(2-chlorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076743
(2S)-2-(4-methylphenyl)-N-(2-nitrophenyl)pyrrolidine-1-carboxamide
CID 51855647
(2S)-N-(2-bromophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894253
(2R)-N-(2-bromophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 92500060
(2S)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 94080873
N-(3,5-dimethylphenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 53096340
(2R)-N-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856460
(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855965
(2R)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076835
(2S)-N-(2-methoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 94080897

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-bromophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(2-bromophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide (CID 51856141) is (2S)-N-(2-bromophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2-bromophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(2-bromophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide is Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of (2S)-N-(2-bromophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is BMKZJLKDXKVLDY-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19BrN2O/c1-13-8-10-14(11-9-13)17-7-4-12-21(17)18(22)20-16-6-3-2-5-15(16)19/h2-3,5-6,8-11,17H,4,7,12H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of (2S)-N-(2-bromophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide?
(2S)-N-(2-bromophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 359.27 g/mol, XLogP of 5.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-bromophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 51856141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).