N-(2-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide

C14H22ClN3O — CID 16790182

IUPACN-(2-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
SMILESCC(C)N(C)CCCC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C14H22ClN3O/c1-10(2)18(3)8-4-5-14(19)17-13-7-6-11(15)9-12(13)16/h6-7,9-10H,4-5,8,16H2,1-3H3,(H,17,19)
InChIKeyTWZBLMSJEPCJAB-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.98
Rot. Bonds6

About N-(2-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide

N-(2-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide (PubChem CID 16790182) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
PubChem CID16790182
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC NameN-(2-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
SMILESCC(C)N(C)CCCC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C14H22ClN3O/c1-10(2)18(3)8-4-5-14(19)17-13-7-6-11(15)9-12(13)16/h6-7,9-10H,4-5,8,16H2,1-3H3,(H,17,19)
InChIKeyTWZBLMSJEPCJAB-UHFFFAOYSA-N
XLogP2.98
TPSA58.36 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 ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16790772
N-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879448
N-(2-amino-4-chlorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63693562
N-(2-amino-4-chlorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide
CID 43295387
N-(2-amino-4-chlorophenyl)-4-[(2-amino-2-oxoethyl)-methylamino]butanamide
CID 43373835
N-(2-amino-4-chlorophenyl)-4-[cyclopropyl(methyl)amino]butanamide
CID 43264571
N-(2-amino-4-chlorophenyl)-3-[methyl(pentan-2-yl)amino]propanamide
CID 43571687
N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43263005
N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
CID 16795601
N-(2-amino-4-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272559
methyl 4-(2-amino-4-chloroanilino)-4-oxobutanoate
CID 175254190
N-(5-amino-2-methoxyphenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16785339

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide (CID 16790182) is N-(2-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide is CC(C)N(C)CCCC(=O)Nc1ccc(Cl)cc1N.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide?
The InChIKey is TWZBLMSJEPCJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-10(2)18(3)8-4-5-14(19)17-13-7-6-11(15)9-12(13)16/h6-7,9-10H,4-5,8,16H2,1-3H3,(H,17,19).
What are the key properties of N-(2-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide?
N-(2-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide has a molecular weight of 283.80 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide is sourced from PubChem (CID 16790182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).