(2R)-2-(4-bromo-3-methylanilino)-N-cyclopropyl-2-phenylacetamide

C18H19BrN2O — CID 25356041

IUPAC(2R)-2-(4-bromo-3-methylanilino)-N-cyclopropyl-2-phenylacetamide
SMILESCc1cc(N[C@@H](C(=O)NC2CC2)c2ccccc2)ccc1Br
InChIInChI=1S/C18H19BrN2O/c1-12-11-15(9-10-16(12)19)20-17(13-5-3-2-4-6-13)18(22)21-14-7-8-14/h2-6,9-11,14,17,20H,7-8H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyQBOUAEWDLNHWFF-QGZVFWFLSA-N
MW359.27 g/mol
LogP4.19
Rot. Bonds5

About (2R)-2-(4-bromo-3-methylanilino)-N-cyclopropyl-2-phenylacetamide

(2R)-2-(4-bromo-3-methylanilino)-N-cyclopropyl-2-phenylacetamide (PubChem CID 25356041) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is (2R)-2-(4-bromo-3-methylanilino)-N-cyclopropyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(4-bromo-3-methylanilino)-N-cyclopropyl-2-phenylacetamide
PubChem CID25356041
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC Name(2R)-2-(4-bromo-3-methylanilino)-N-cyclopropyl-2-phenylacetamide
SMILESCc1cc(N[C@@H](C(=O)NC2CC2)c2ccccc2)ccc1Br
InChIInChI=1S/C18H19BrN2O/c1-12-11-15(9-10-16(12)19)20-17(13-5-3-2-4-6-13)18(22)21-14-7-8-14/h2-6,9-11,14,17,20H,7-8H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyQBOUAEWDLNHWFF-QGZVFWFLSA-N
XLogP4.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-(3,4-difluoroanilino)-2-phenylacetamide
CID 51248536
2-(4-tert-butylanilino)-N-cyclopropyl-2-phenylacetamide
CID 60597929
(2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide
CID 7043625
N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-phenylacetamide
CID 78807692
(2S)-N-cyclopropyl-2-[3-(hydroxymethyl)-4-methoxyanilino]-2-phenylacetamide
CID 94796172
1-(4-bromo-3-methylphenyl)-3-cyclopropylurea
CID 47127436
(2R)-N-[3-[[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methoxypropanamide
CID 52507919
3-[[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]amino]-N-cyclopropylbenzamide
CID 41081211
2-amino-N-(4-bromo-3-methylphenyl)-2-phenylacetamide
CID 24709561
N-cyclopropyl-4-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]benzamide
CID 24624066
(2R)-2-(3,4-dimethylanilino)-2-phenylacetic acid
CID 7148217
N-cyclopropyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)amino]-2-phenylacetamide
CID 126770182

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromo-3-methylanilino)-N-cyclopropyl-2-phenylacetamide?
The IUPAC name of (2R)-2-(4-bromo-3-methylanilino)-N-cyclopropyl-2-phenylacetamide (CID 25356041) is (2R)-2-(4-bromo-3-methylanilino)-N-cyclopropyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(4-bromo-3-methylanilino)-N-cyclopropyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-(4-bromo-3-methylanilino)-N-cyclopropyl-2-phenylacetamide is Cc1cc(N[C@@H](C(=O)NC2CC2)c2ccccc2)ccc1Br.
What is the InChIKey of (2R)-2-(4-bromo-3-methylanilino)-N-cyclopropyl-2-phenylacetamide?
The InChIKey is QBOUAEWDLNHWFF-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19BrN2O/c1-12-11-15(9-10-16(12)19)20-17(13-5-3-2-4-6-13)18(22)21-14-7-8-14/h2-6,9-11,14,17,20H,7-8H2,1H3,(H,21,22)/t17-/m1/s1.
What are the key properties of (2R)-2-(4-bromo-3-methylanilino)-N-cyclopropyl-2-phenylacetamide?
(2R)-2-(4-bromo-3-methylanilino)-N-cyclopropyl-2-phenylacetamide has a molecular weight of 359.27 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromo-3-methylanilino)-N-cyclopropyl-2-phenylacetamide is sourced from PubChem (CID 25356041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).