4-[(3-amino-4-methylpentyl)-methylamino]-3-chlorobenzamide

C14H22ClN3O — CID 115318126

IUPAC4-[(3-amino-4-methylpentyl)-methylamino]-3-chlorobenzamide
SMILESCC(C)C(N)CCN(C)c1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C14H22ClN3O/c1-9(2)12(16)6-7-18(3)13-5-4-10(14(17)19)8-11(13)15/h4-5,8-9,12H,6-7,16H2,1-3H3,(H2,17,19)
InChIKeyLVTDTRUQYRATEJ-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.25
Rot. Bonds6

About 4-[(3-amino-4-methylpentyl)-methylamino]-3-chlorobenzamide

4-[(3-amino-4-methylpentyl)-methylamino]-3-chlorobenzamide (PubChem CID 115318126) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-[(3-amino-4-methylpentyl)-methylamino]-3-chlorobenzamide.

Molecular Properties

Compound Name4-[(3-amino-4-methylpentyl)-methylamino]-3-chlorobenzamide
PubChem CID115318126
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name4-[(3-amino-4-methylpentyl)-methylamino]-3-chlorobenzamide
SMILESCC(C)C(N)CCN(C)c1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C14H22ClN3O/c1-9(2)12(16)6-7-18(3)13-5-4-10(14(17)19)8-11(13)15/h4-5,8-9,12H,6-7,16H2,1-3H3,(H2,17,19)
InChIKeyLVTDTRUQYRATEJ-UHFFFAOYSA-N
XLogP2.25
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-amino-4-methylpentyl)-methylamino]-3-bromobenzamide
CID 82809011
4-[[(3-amino-4-methylpentyl)-methylamino]methyl]-3-chlorobenzamide
CID 102669347
2-[(3-amino-4-methylpentyl)-methylamino]-5-fluorobenzamide
CID 115318269
2-[(3-amino-4-methylpentyl)-methylamino]-5-nitrobenzamide
CID 115318061
3-chloro-4-[2-(dimethylamino)ethyl-methylamino]benzenecarbothioamide
CID 63694049
3-chloro-4-[methyl(2-propan-2-yloxyethyl)amino]benzenecarbothioamide
CID 81055954
2-(4-carbamoyl-2-chloro-N-methylanilino)butanoic acid
CID 55182350
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
CID 119658374
4-[(3-amino-4-methylpentyl)-methylamino]-2-bromobenzamide
CID 107280889
2-(4-carbamoyl-2-chloro-N-methylanilino)-2-methylpropanoic acid
CID 55182543
4-[(3-amino-4-methylpentyl)-methylamino]-2-chlorobenzonitrile
CID 113285627
N'-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 78948201

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-methylpentyl)-methylamino]-3-chlorobenzamide?
The IUPAC name of 4-[(3-amino-4-methylpentyl)-methylamino]-3-chlorobenzamide (CID 115318126) is 4-[(3-amino-4-methylpentyl)-methylamino]-3-chlorobenzamide.
What is the SMILES notation for 4-[(3-amino-4-methylpentyl)-methylamino]-3-chlorobenzamide?
The canonical SMILES for 4-[(3-amino-4-methylpentyl)-methylamino]-3-chlorobenzamide is CC(C)C(N)CCN(C)c1ccc(C(N)=O)cc1Cl.
What is the InChIKey of 4-[(3-amino-4-methylpentyl)-methylamino]-3-chlorobenzamide?
The InChIKey is LVTDTRUQYRATEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-9(2)12(16)6-7-18(3)13-5-4-10(14(17)19)8-11(13)15/h4-5,8-9,12H,6-7,16H2,1-3H3,(H2,17,19).
What are the key properties of 4-[(3-amino-4-methylpentyl)-methylamino]-3-chlorobenzamide?
4-[(3-amino-4-methylpentyl)-methylamino]-3-chlorobenzamide has a molecular weight of 283.80 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-methylpentyl)-methylamino]-3-chlorobenzamide is sourced from PubChem (CID 115318126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).