N-(5-chloropentyl)-N-methyl-3-phenylpropanamide

C15H22ClNO — CID 107205755

IUPACN-(5-chloropentyl)-N-methyl-3-phenylpropanamide
SMILESCN(CCCCCCl)C(=O)CCc1ccccc1
InChIInChI=1S/C15H22ClNO/c1-17(13-7-3-6-12-16)15(18)11-10-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3
InChIKeyKNXBTGBRMNMINY-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.49
Rot. Bonds8

About N-(5-chloropentyl)-N-methyl-3-phenylpropanamide

N-(5-chloropentyl)-N-methyl-3-phenylpropanamide (PubChem CID 107205755) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-(5-chloropentyl)-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-N-methyl-3-phenylpropanamide
PubChem CID107205755
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-(5-chloropentyl)-N-methyl-3-phenylpropanamide
SMILESCN(CCCCCCl)C(=O)CCc1ccccc1
InChIInChI=1S/C15H22ClNO/c1-17(13-7-3-6-12-16)15(18)11-10-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3
InChIKeyKNXBTGBRMNMINY-UHFFFAOYSA-N
XLogP3.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-methyl-4-phenylbutanamide
CID 63391707
6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid
CID 23043994
2-amino-N-methyl-N-(4-phenylbutyl)acetamide
CID 60946836
3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide
CID 54874962
N-(5-chloropentyl)-N-methyl-2-(3-methylphenyl)acetamide
CID 107205663
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(4-phenylbutyl)propanamide
CID 112837372
N-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide
CID 60508904
N-(3-aminopropyl)-3-[benzyl(methyl)amino]-N-methylpropanamide
CID 43253618
N,N-dihexyl-3-phenylpropanamide
CID 532921
7-chloro-1-phenylheptan-3-one
CID 57471587
2-amino-N-methyl-N-(3-phenylpropyl)acetamide
CID 43588759
4-(2-ethoxyphenoxy)-N-methyl-N-(3-phenylpropyl)butanamide
CID 55710235

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-N-methyl-3-phenylpropanamide?
The IUPAC name of N-(5-chloropentyl)-N-methyl-3-phenylpropanamide (CID 107205755) is N-(5-chloropentyl)-N-methyl-3-phenylpropanamide.
What is the SMILES notation for N-(5-chloropentyl)-N-methyl-3-phenylpropanamide?
The canonical SMILES for N-(5-chloropentyl)-N-methyl-3-phenylpropanamide is CN(CCCCCCl)C(=O)CCc1ccccc1.
What is the InChIKey of N-(5-chloropentyl)-N-methyl-3-phenylpropanamide?
The InChIKey is KNXBTGBRMNMINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-17(13-7-3-6-12-16)15(18)11-10-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3.
What are the key properties of N-(5-chloropentyl)-N-methyl-3-phenylpropanamide?
N-(5-chloropentyl)-N-methyl-3-phenylpropanamide has a molecular weight of 267.80 g/mol, XLogP of 3.49, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 107205755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).