N-(4-chlorophenyl)-3,3-dimethylpentanamide

C13H18ClNO — CID 18712252

IUPACN-(4-chlorophenyl)-3,3-dimethylpentanamide
SMILESCCC(C)(C)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c1-4-13(2,3)9-12(16)15-11-7-5-10(14)6-8-11/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKeyCDKQUDVITTWWGN-UHFFFAOYSA-N
MW239.75 g/mol
LogP4.10
Rot. Bonds4

About N-(4-chlorophenyl)-3,3-dimethylpentanamide

N-(4-chlorophenyl)-3,3-dimethylpentanamide (PubChem CID 18712252) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3,3-dimethylpentanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3,3-dimethylpentanamide
PubChem CID18712252
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC NameN-(4-chlorophenyl)-3,3-dimethylpentanamide
SMILESCCC(C)(C)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c1-4-13(2,3)9-12(16)15-11-7-5-10(14)6-8-11/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKeyCDKQUDVITTWWGN-UHFFFAOYSA-N
XLogP4.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-chloroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 2732371
N-(4-chlorophenyl)-2-(2,2-dimethylbutylamino)acetamide
CID 103698697
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
N-(4-chlorophenyl)-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide
CID 106256392
N-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 19630200
N,N'-bis(4-chlorophenyl)-3-oxopentanediamide
CID 12654887
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide
CID 8816582
3-(4-chlorophenyl)-3-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 110303514
N-(4-acetamidophenyl)-2-(4-chloroanilino)acetamide
CID 2604426
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(4-chlorophenyl)acetamide;hydrochloride
CID 119928864
N-(4-chlorophenyl)-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]acetamide
CID 103911843
4-O-[2-(4-chloroanilino)-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 7851828

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3,3-dimethylpentanamide?
The IUPAC name of N-(4-chlorophenyl)-3,3-dimethylpentanamide (CID 18712252) is N-(4-chlorophenyl)-3,3-dimethylpentanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3,3-dimethylpentanamide?
The canonical SMILES for N-(4-chlorophenyl)-3,3-dimethylpentanamide is CCC(C)(C)CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3,3-dimethylpentanamide?
The InChIKey is CDKQUDVITTWWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-4-13(2,3)9-12(16)15-11-7-5-10(14)6-8-11/h5-8H,4,9H2,1-3H3,(H,15,16).
What are the key properties of N-(4-chlorophenyl)-3,3-dimethylpentanamide?
N-(4-chlorophenyl)-3,3-dimethylpentanamide has a molecular weight of 239.75 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3,3-dimethylpentanamide is sourced from PubChem (CID 18712252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).