3-amino-N-[(2,4-dichlorophenyl)methyl]butanamide

C11H14Cl2N2O — CID 115154234

IUPAC3-amino-N-[(2,4-dichlorophenyl)methyl]butanamide
SMILESCC(N)CC(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2N2O/c1-7(14)4-11(16)15-6-8-2-3-9(12)5-10(8)13/h2-3,5,7H,4,6,14H2,1H3,(H,15,16)
InChIKeyUXOXGPQVSOQAJU-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.35
Rot. Bonds4

About 3-amino-N-[(2,4-dichlorophenyl)methyl]butanamide

3-amino-N-[(2,4-dichlorophenyl)methyl]butanamide (PubChem CID 115154234) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 3-amino-N-[(2,4-dichlorophenyl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[(2,4-dichlorophenyl)methyl]butanamide
PubChem CID115154234
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name3-amino-N-[(2,4-dichlorophenyl)methyl]butanamide
SMILESCC(N)CC(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2N2O/c1-7(14)4-11(16)15-6-8-2-3-9(12)5-10(8)13/h2-3,5,7H,4,6,14H2,1H3,(H,15,16)
InChIKeyUXOXGPQVSOQAJU-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
3-amino-N-[(2,4-difluorophenyl)methyl]butanamide;hydrochloride
CID 119708041
N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide
CID 115193657
3-amino-N-[(2-chloro-5-nitrophenyl)methyl]butanamide;hydrochloride
CID 119821355
3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 62675142
3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119679706
2-(4-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-3-methylbutanamide
CID 4264169
3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119802030
5-amino-1-(2,4-dichlorophenyl)hexan-2-one
CID 116571543
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263877
(2R)-2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263879
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]butanediamide
CID 60847585

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,4-dichlorophenyl)methyl]butanamide?
The IUPAC name of 3-amino-N-[(2,4-dichlorophenyl)methyl]butanamide (CID 115154234) is 3-amino-N-[(2,4-dichlorophenyl)methyl]butanamide.
What is the SMILES notation for 3-amino-N-[(2,4-dichlorophenyl)methyl]butanamide?
The canonical SMILES for 3-amino-N-[(2,4-dichlorophenyl)methyl]butanamide is CC(N)CC(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-amino-N-[(2,4-dichlorophenyl)methyl]butanamide?
The InChIKey is UXOXGPQVSOQAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c1-7(14)4-11(16)15-6-8-2-3-9(12)5-10(8)13/h2-3,5,7H,4,6,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-[(2,4-dichlorophenyl)methyl]butanamide?
3-amino-N-[(2,4-dichlorophenyl)methyl]butanamide has a molecular weight of 261.15 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,4-dichlorophenyl)methyl]butanamide is sourced from PubChem (CID 115154234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).