2-[(4-bromophenyl)methylamino]-N-pentan-3-ylacetamide

C14H21BrN2O — CID 54957107

IUPAC2-[(4-bromophenyl)methylamino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNCc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-3-13(4-2)17-14(18)10-16-9-11-5-7-12(15)8-6-11/h5-8,13,16H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyHGBKEPGGSMAMGL-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.84
Rot. Bonds7

About 2-[(4-bromophenyl)methylamino]-N-pentan-3-ylacetamide

2-[(4-bromophenyl)methylamino]-N-pentan-3-ylacetamide (PubChem CID 54957107) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylamino]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylamino]-N-pentan-3-ylacetamide
PubChem CID54957107
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-[(4-bromophenyl)methylamino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNCc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-3-13(4-2)17-14(18)10-16-9-11-5-7-12(15)8-6-11/h5-8,13,16H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyHGBKEPGGSMAMGL-UHFFFAOYSA-N
XLogP2.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methoxyphenyl)methylamino]-N-pentan-3-ylacetamide
CID 60673041
2-[(4-bromophenyl)methylamino]-N-prop-2-enylacetamide
CID 115919828
2-[(5-methylfuran-2-yl)methylamino]-N-pentan-3-ylacetamide
CID 62524546
2-(4-bromophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390377
N-pentan-3-yl-2-(2-phenylethylamino)acetamide
CID 60671321
4-bromo-N-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104868922
N-[(4-bromophenyl)methyl]butanamide
CID 22503328
2-[[(4-bromophenyl)methylamino]methyl]butan-1-ol
CID 115250747
2-[(4-bromophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63099192
N-(4-bromophenyl)-2-[(4-cyanophenyl)methylamino]acetamide
CID 60918337
2-[4-[[(4-bromophenyl)methylamino]methyl]phenyl]propanoic acid
CID 103234963
2-[4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486986

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylamino]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[(4-bromophenyl)methylamino]-N-pentan-3-ylacetamide (CID 54957107) is 2-[(4-bromophenyl)methylamino]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methylamino]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[(4-bromophenyl)methylamino]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CNCc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methylamino]-N-pentan-3-ylacetamide?
The InChIKey is HGBKEPGGSMAMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-3-13(4-2)17-14(18)10-16-9-11-5-7-12(15)8-6-11/h5-8,13,16H,3-4,9-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[(4-bromophenyl)methylamino]-N-pentan-3-ylacetamide?
2-[(4-bromophenyl)methylamino]-N-pentan-3-ylacetamide has a molecular weight of 313.24 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylamino]-N-pentan-3-ylacetamide is sourced from PubChem (CID 54957107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).