N-(3-chlorophenyl)-3,3-dimethyl-N-pentan-2-ylpentanamide

C18H28ClNO — CID 71107637

IUPACN-(3-chlorophenyl)-3,3-dimethyl-N-pentan-2-ylpentanamide
SMILESCCCC(C)N(C(=O)CC(C)(C)CC)c1cccc(Cl)c1
InChIInChI=1S/C18H28ClNO/c1-6-9-14(3)20(16-11-8-10-15(19)12-16)17(21)13-18(4,5)7-2/h8,10-12,14H,6-7,9,13H2,1-5H3
InChIKeyYXYMWIVZVBOZNU-UHFFFAOYSA-N
MW309.88 g/mol
LogP5.69
Rot. Bonds7

About N-(3-chlorophenyl)-3,3-dimethyl-N-pentan-2-ylpentanamide

N-(3-chlorophenyl)-3,3-dimethyl-N-pentan-2-ylpentanamide (PubChem CID 71107637) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3,3-dimethyl-N-pentan-2-ylpentanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3,3-dimethyl-N-pentan-2-ylpentanamide
PubChem CID71107637
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC NameN-(3-chlorophenyl)-3,3-dimethyl-N-pentan-2-ylpentanamide
SMILESCCCC(C)N(C(=O)CC(C)(C)CC)c1cccc(Cl)c1
InChIInChI=1S/C18H28ClNO/c1-6-9-14(3)20(16-11-8-10-15(19)12-16)17(21)13-18(4,5)7-2/h8,10-12,14H,6-7,9,13H2,1-5H3
InChIKeyYXYMWIVZVBOZNU-UHFFFAOYSA-N
XLogP5.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.88
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-chlorophenyl)-N-heptan-4-yl-2-methylbutanamide
CID 71107318
N-(3-chlorophenyl)-2-hydroxy-N-propan-2-ylacetamide
CID 14551932
N-(3-chlorophenyl)-N-heptan-2-yl-2-methylbutanamide
CID 71107165
N-(3-ethylphenyl)-N-heptan-2-yl-3,3-dimethylbutanamide
CID 18735943
2-[3-chloro-N-(2-methylpentyl)anilino]acetic acid
CID 63402361
(2S)-2-(N-acetyl-3-chloroanilino)propanoic acid
CID 150639121
2-(3-chloro-N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)acetic acid
CID 60833216
ethyl 2-(3-chlorophenyl)-2,3-dimethylbutanoate
CID 117047944
(2R)-2-(3-chloro-N-ethylanilino)propanoic acid
CID 124583979
2-(tert-butylamino)-1-(3-chlorophenyl)pentan-1-one
CID 3029724
2-(3-chloro-N-ethylsulfonylanilino)propanoic acid
CID 50890299
N-butyl-N-(3-chlorophenyl)-2-methylpropanamide
CID 18736118

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3,3-dimethyl-N-pentan-2-ylpentanamide?
The IUPAC name of N-(3-chlorophenyl)-3,3-dimethyl-N-pentan-2-ylpentanamide (CID 71107637) is N-(3-chlorophenyl)-3,3-dimethyl-N-pentan-2-ylpentanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3,3-dimethyl-N-pentan-2-ylpentanamide?
The canonical SMILES for N-(3-chlorophenyl)-3,3-dimethyl-N-pentan-2-ylpentanamide is CCCC(C)N(C(=O)CC(C)(C)CC)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3,3-dimethyl-N-pentan-2-ylpentanamide?
The InChIKey is YXYMWIVZVBOZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-6-9-14(3)20(16-11-8-10-15(19)12-16)17(21)13-18(4,5)7-2/h8,10-12,14H,6-7,9,13H2,1-5H3.
What are the key properties of N-(3-chlorophenyl)-3,3-dimethyl-N-pentan-2-ylpentanamide?
N-(3-chlorophenyl)-3,3-dimethyl-N-pentan-2-ylpentanamide has a molecular weight of 309.88 g/mol, XLogP of 5.69, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3,3-dimethyl-N-pentan-2-ylpentanamide is sourced from PubChem (CID 71107637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).