N-(2-bromophenyl)-2-(4-tert-butylanilino)acetamide

C18H21BrN2O — CID 109008293

IUPACN-(2-bromophenyl)-2-(4-tert-butylanilino)acetamide
SMILESCC(C)(C)c1ccc(NCC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C18H21BrN2O/c1-18(2,3)13-8-10-14(11-9-13)20-12-17(22)21-16-7-5-4-6-15(16)19/h4-11,20H,12H2,1-3H3,(H,21,22)
InChIKeyCAIRODBPPANOMD-UHFFFAOYSA-N
MW361.28 g/mol
LogP4.80
Rot. Bonds4

About N-(2-bromophenyl)-2-(4-tert-butylanilino)acetamide

N-(2-bromophenyl)-2-(4-tert-butylanilino)acetamide (PubChem CID 109008293) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(4-tert-butylanilino)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(4-tert-butylanilino)acetamide
PubChem CID109008293
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC NameN-(2-bromophenyl)-2-(4-tert-butylanilino)acetamide
SMILESCC(C)(C)c1ccc(NCC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C18H21BrN2O/c1-18(2,3)13-8-10-14(11-9-13)20-12-17(22)21-16-7-5-4-6-15(16)19/h4-11,20H,12H2,1-3H3,(H,21,22)
InChIKeyCAIRODBPPANOMD-UHFFFAOYSA-N
XLogP4.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide
CID 28585942
N-[4-[[2-(2-bromoanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54830564
N-(2-bromophenyl)-2-(4-nitroanilino)acetamide
CID 4780880
2-anilino-N-(3-bromo-2-methylphenyl)acetamide
CID 50874354
N-(2-bromophenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009599
N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109010455
N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165853
N-(2-bromophenyl)-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide
CID 4092566
N-(2-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834057
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide
CID 54842256
4-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54842948
N-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide
CID 108952923

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(4-tert-butylanilino)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(4-tert-butylanilino)acetamide (CID 109008293) is N-(2-bromophenyl)-2-(4-tert-butylanilino)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(4-tert-butylanilino)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(4-tert-butylanilino)acetamide is CC(C)(C)c1ccc(NCC(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of N-(2-bromophenyl)-2-(4-tert-butylanilino)acetamide?
The InChIKey is CAIRODBPPANOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-18(2,3)13-8-10-14(11-9-13)20-12-17(22)21-16-7-5-4-6-15(16)19/h4-11,20H,12H2,1-3H3,(H,21,22).
What are the key properties of N-(2-bromophenyl)-2-(4-tert-butylanilino)acetamide?
N-(2-bromophenyl)-2-(4-tert-butylanilino)acetamide has a molecular weight of 361.28 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(4-tert-butylanilino)acetamide is sourced from PubChem (CID 109008293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).