N-[4-chloro-3-(2-methylpropylamino)phenyl]acetamide

C12H17ClN2O — CID 154354930

IUPACN-[4-chloro-3-(2-methylpropylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)c(NCC(C)C)c1
InChIInChI=1S/C12H17ClN2O/c1-8(2)7-14-12-6-10(15-9(3)16)4-5-11(12)13/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyKEVJDLOVEVKOQE-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.37
Rot. Bonds4

About N-[4-chloro-3-(2-methylpropylamino)phenyl]acetamide

N-[4-chloro-3-(2-methylpropylamino)phenyl]acetamide (PubChem CID 154354930) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-[4-chloro-3-(2-methylpropylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(2-methylpropylamino)phenyl]acetamide
PubChem CID154354930
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-[4-chloro-3-(2-methylpropylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)c(NCC(C)C)c1
InChIInChI=1S/C12H17ClN2O/c1-8(2)7-14-12-6-10(15-9(3)16)4-5-11(12)13/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyKEVJDLOVEVKOQE-UHFFFAOYSA-N
XLogP3.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-3-(2-methylpropylamino)phenyl]methanesulfonamide
CID 43708221
N-[4-chloro-3-(5-hydroxypentylamino)phenyl]acetamide
CID 111770386
N-(3,4-dichlorophenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181373
N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
CID 60928010
N-[2-methyl-4-(2-methylpropylamino)phenyl]acetamide
CID 43672835
2-(5-acetamido-2-chloroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 56787287
N-(5-acetamido-2-chlorophenyl)-2-amino-2-methylpentanamide;hydrochloride
CID 119707643
N-(5-acetamido-2-chlorophenyl)-4-aminobutanamide;hydrochloride
CID 119280748
N-(5-acetamido-2-chlorophenyl)octanamide
CID 60538690
4-(3-acetamido-4-chloroanilino)-4-oxobutanoic acid
CID 881020
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
2-(4-acetamido-2-chloroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 95253523

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(2-methylpropylamino)phenyl]acetamide?
The IUPAC name of N-[4-chloro-3-(2-methylpropylamino)phenyl]acetamide (CID 154354930) is N-[4-chloro-3-(2-methylpropylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-chloro-3-(2-methylpropylamino)phenyl]acetamide?
The canonical SMILES for N-[4-chloro-3-(2-methylpropylamino)phenyl]acetamide is CC(=O)Nc1ccc(Cl)c(NCC(C)C)c1.
What is the InChIKey of N-[4-chloro-3-(2-methylpropylamino)phenyl]acetamide?
The InChIKey is KEVJDLOVEVKOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-8(2)7-14-12-6-10(15-9(3)16)4-5-11(12)13/h4-6,8,14H,7H2,1-3H3,(H,15,16).
What are the key properties of N-[4-chloro-3-(2-methylpropylamino)phenyl]acetamide?
N-[4-chloro-3-(2-methylpropylamino)phenyl]acetamide has a molecular weight of 240.73 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(2-methylpropylamino)phenyl]acetamide is sourced from PubChem (CID 154354930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).