2-anilino-N-[(4-bromophenyl)methyl]acetamide

C15H15BrN2O — CID 60862420

IUPAC2-anilino-N-[(4-bromophenyl)methyl]acetamide
SMILESO=C(CNc1ccccc1)NCc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O/c16-13-8-6-12(7-9-13)10-18-15(19)11-17-14-4-2-1-3-5-14/h1-9,17H,10-11H2,(H,18,19)
InChIKeyIAIOQLWPVBBXTM-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.18
Rot. Bonds5

About 2-anilino-N-[(4-bromophenyl)methyl]acetamide

2-anilino-N-[(4-bromophenyl)methyl]acetamide (PubChem CID 60862420) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-anilino-N-[(4-bromophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(4-bromophenyl)methyl]acetamide
PubChem CID60862420
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name2-anilino-N-[(4-bromophenyl)methyl]acetamide
SMILESO=C(CNc1ccccc1)NCc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O/c16-13-8-6-12(7-9-13)10-18-15(19)11-17-14-4-2-1-3-5-14/h1-9,17H,10-11H2,(H,18,19)
InChIKeyIAIOQLWPVBBXTM-UHFFFAOYSA-N
XLogP3.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 119835863
2-anilino-N-[(2-hydroxyphenyl)methyl]acetamide
CID 114332305
3-[[(2-anilinoacetyl)amino]methyl]benzoic acid
CID 61161502
2-anilino-N-[(3-fluorophenyl)methyl]acetamide
CID 54927417
2-anilino-N-[(3-chloro-4-fluorophenyl)methyl]acetamide
CID 62538297
2-anilino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119699219
2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525110
N-[(4-bromophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78948071
N-benzyl-2-hydrazinylacetamide
CID 15514349
N-benzyl-2-[3-(2-phenylethynyl)anilino]acetamide
CID 112814812
1-[(4-bromophenyl)methyl]-3-phenylthiourea
CID 19057847
N-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide
CID 51178267

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(4-bromophenyl)methyl]acetamide?
The IUPAC name of 2-anilino-N-[(4-bromophenyl)methyl]acetamide (CID 60862420) is 2-anilino-N-[(4-bromophenyl)methyl]acetamide.
What is the SMILES notation for 2-anilino-N-[(4-bromophenyl)methyl]acetamide?
The canonical SMILES for 2-anilino-N-[(4-bromophenyl)methyl]acetamide is O=C(CNc1ccccc1)NCc1ccc(Br)cc1.
What is the InChIKey of 2-anilino-N-[(4-bromophenyl)methyl]acetamide?
The InChIKey is IAIOQLWPVBBXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c16-13-8-6-12(7-9-13)10-18-15(19)11-17-14-4-2-1-3-5-14/h1-9,17H,10-11H2,(H,18,19).
What are the key properties of 2-anilino-N-[(4-bromophenyl)methyl]acetamide?
2-anilino-N-[(4-bromophenyl)methyl]acetamide has a molecular weight of 319.20 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(4-bromophenyl)methyl]acetamide is sourced from PubChem (CID 60862420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).