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

C14H20ClNO — CID 82088364

IUPAC3-(3-chlorophenyl)-N,4,4-trimethylpentanamide
SMILESCNC(=O)CC(c1cccc(Cl)c1)C(C)(C)C
InChIInChI=1S/C14H20ClNO/c1-14(2,3)12(9-13(17)16-4)10-6-5-7-11(15)8-10/h5-8,12H,9H2,1-4H3,(H,16,17)
InChIKeyKGNXZRNEAYULEH-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.61
Rot. Bonds3

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

3-(3-chlorophenyl)-N,4,4-trimethylpentanamide (PubChem CID 82088364) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N,4,4-trimethylpentanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N,4,4-trimethylpentanamide
PubChem CID82088364
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-(3-chlorophenyl)-N,4,4-trimethylpentanamide
SMILESCNC(=O)CC(c1cccc(Cl)c1)C(C)(C)C
InChIInChI=1S/C14H20ClNO/c1-14(2,3)12(9-13(17)16-4)10-6-5-7-11(15)8-10/h5-8,12H,9H2,1-4H3,(H,16,17)
InChIKeyKGNXZRNEAYULEH-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[bis(3-chlorophenyl)methylsulfanyl]-N-methylacetamide
CID 118654886
2-(3-chlorophenyl)-3,3-dimethylbutan-1-amine
CID 82078166
(3R)-4-hydroxy-N,4-dimethyl-3-phenylpentanamide
CID 10656608
2-(3-chlorophenyl)-3,3-dimethylbutanoic acid
CID 83823565
N-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-phenylpentanamide
CID 102034056
N-[1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 78773548
2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N-methylacetamide
CID 55019741
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
3-(3-chlorophenyl)butanoic acid
CID 71683749
(2S)-2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutanamide
CID 111750581
methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate
CID 15081586
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N,4,4-trimethylpentanamide?
The IUPAC name of 3-(3-chlorophenyl)-N,4,4-trimethylpentanamide (CID 82088364) is 3-(3-chlorophenyl)-N,4,4-trimethylpentanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N,4,4-trimethylpentanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N,4,4-trimethylpentanamide is CNC(=O)CC(c1cccc(Cl)c1)C(C)(C)C.
What is the InChIKey of 3-(3-chlorophenyl)-N,4,4-trimethylpentanamide?
The InChIKey is KGNXZRNEAYULEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-14(2,3)12(9-13(17)16-4)10-6-5-7-11(15)8-10/h5-8,12H,9H2,1-4H3,(H,16,17).
What are the key properties of 3-(3-chlorophenyl)-N,4,4-trimethylpentanamide?
3-(3-chlorophenyl)-N,4,4-trimethylpentanamide has a molecular weight of 253.77 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N,4,4-trimethylpentanamide is sourced from PubChem (CID 82088364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).