N-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylanilino)acetamide

C18H21BrN2O — CID 99147022

IUPACN-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNc1ccc(C(C)C)cc1
InChIInChI=1S/C18H21BrN2O/c1-12(2)14-4-7-16(8-5-14)20-11-18(22)21-17-9-6-15(19)10-13(17)3/h4-10,12,20H,11H2,1-3H3,(H,21,22)
InChIKeyASIWOPRAZXZFMT-UHFFFAOYSA-N
MW361.28 g/mol
LogP4.93
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylanilino)acetamide

N-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylanilino)acetamide (PubChem CID 99147022) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
PubChem CID99147022
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNc1ccc(C(C)C)cc1
InChIInChI=1S/C18H21BrN2O/c1-12(2)14-4-7-16(8-5-14)20-11-18(22)21-17-9-6-15(19)10-13(17)3/h4-10,12,20H,11H2,1-3H3,(H,21,22)
InChIKeyASIWOPRAZXZFMT-UHFFFAOYSA-N
XLogP4.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 31378015
1-(4-bromo-2-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991649
2-(4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39448754
2-(3-acetamido-4-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide
CID 31768609
2-(4-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 109007918
2-(4-chloroanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 26506560
2-(4-bromo-2-methylanilino)-N-propan-2-ylacetamide
CID 28572367
N-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 109007872
2-(5-acetamido-2-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide
CID 37278653
4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide
CID 55988825
2-(4-bromoanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 7492460
3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride
CID 119682559

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylanilino)acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylanilino)acetamide (CID 99147022) is N-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylanilino)acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylanilino)acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylanilino)acetamide is Cc1cc(Br)ccc1NC(=O)CNc1ccc(C(C)C)cc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylanilino)acetamide?
The InChIKey is ASIWOPRAZXZFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-12(2)14-4-7-16(8-5-14)20-11-18(22)21-17-9-6-15(19)10-13(17)3/h4-10,12,20H,11H2,1-3H3,(H,21,22).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylanilino)acetamide?
N-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylanilino)acetamide has a molecular weight of 361.28 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylanilino)acetamide is sourced from PubChem (CID 99147022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).