N-[1-(2-chlorophenyl)ethyl]heptanamide

C15H22ClNO — CID 57313827

IUPACN-[1-(2-chlorophenyl)ethyl]heptanamide
SMILESCCCCCCC(=O)NC(C)c1ccccc1Cl
InChIInChI=1S/C15H22ClNO/c1-3-4-5-6-11-15(18)17-12(2)13-9-7-8-10-14(13)16/h7-10,12H,3-6,11H2,1-2H3,(H,17,18)
InChIKeyQMYZVNFDIGGBBO-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.49
Rot. Bonds7

About N-[1-(2-chlorophenyl)ethyl]heptanamide

N-[1-(2-chlorophenyl)ethyl]heptanamide (PubChem CID 57313827) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]heptanamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]heptanamide
PubChem CID57313827
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-[1-(2-chlorophenyl)ethyl]heptanamide
SMILESCCCCCCC(=O)NC(C)c1ccccc1Cl
InChIInChI=1S/C15H22ClNO/c1-3-4-5-6-11-15(18)17-12(2)13-9-7-8-10-14(13)16/h7-10,12H,3-6,11H2,1-2H3,(H,17,18)
InChIKeyQMYZVNFDIGGBBO-UHFFFAOYSA-N
XLogP4.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide
CID 51041452
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-hydroxybutanamide
CID 81378925
N-(1-naphthalen-1-ylethyl)tetradecanamide
CID 86181225
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
N-[1-[2-(3-aminopentan-3-yl)phenyl]ethyl]octadecanamide
CID 139385059
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984
3-(2-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]propanamide
CID 107273000
2-[[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772390
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]propanamide
CID 95503016

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]heptanamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]heptanamide (CID 57313827) is N-[1-(2-chlorophenyl)ethyl]heptanamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]heptanamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]heptanamide is CCCCCCC(=O)NC(C)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]heptanamide?
The InChIKey is QMYZVNFDIGGBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-3-4-5-6-11-15(18)17-12(2)13-9-7-8-10-14(13)16/h7-10,12H,3-6,11H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]heptanamide?
N-[1-(2-chlorophenyl)ethyl]heptanamide has a molecular weight of 267.80 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]heptanamide is sourced from PubChem (CID 57313827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).