N-(2-chloro-2-phenylethyl)heptanamide

C15H22ClNO — CID 114753979

IUPACN-(2-chloro-2-phenylethyl)heptanamide
SMILESCCCCCCC(=O)NCC(Cl)c1ccccc1
InChIInChI=1S/C15H22ClNO/c1-2-3-4-8-11-15(18)17-12-14(16)13-9-6-5-7-10-13/h5-7,9-10,14H,2-4,8,11-12H2,1H3,(H,17,18)
InChIKeyODVCQLQXQHDMEZ-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.05
Rot. Bonds8

About N-(2-chloro-2-phenylethyl)heptanamide

N-(2-chloro-2-phenylethyl)heptanamide (PubChem CID 114753979) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-(2-chloro-2-phenylethyl)heptanamide.

Molecular Properties

Compound NameN-(2-chloro-2-phenylethyl)heptanamide
PubChem CID114753979
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-(2-chloro-2-phenylethyl)heptanamide
SMILESCCCCCCC(=O)NCC(Cl)c1ccccc1
InChIInChI=1S/C15H22ClNO/c1-2-3-4-8-11-15(18)17-12-14(16)13-9-6-5-7-10-13/h5-7,9-10,14H,2-4,8,11-12H2,1H3,(H,17,18)
InChIKeyODVCQLQXQHDMEZ-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-chloro-2-phenylethyl)heptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-2-phenylethyl)decanamide
CID 114295700
N-(2-amino-2-phenylethyl)hexanamide
CID 55225513
3-(hexanoylamino)-2-phenylpropanoic acid
CID 62883847
N-(2-hydroxy-2-phenylethyl)octadeca-9,12-dienamide
CID 74954423
N-(2-amino-2-phenylethyl)pentanamide
CID 63120587
[(2R)-2-(dodecanoylamino)-2-phenylethyl]carbamic acid
CID 67913525
N-(3-amino-3-phenylpropyl)octanamide
CID 80506646
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
N-(2-hydroxy-3-phenylpropyl)hexanamide
CID 111102787
N-(2-chloro-1-phenylethyl)octanamide
CID 113272309
1-chloro-1-phenyldecan-2-one
CID 81235866
1-chloro-1-phenylnonan-2-one
CID 81236884

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-phenylethyl)heptanamide?
The IUPAC name of N-(2-chloro-2-phenylethyl)heptanamide (CID 114753979) is N-(2-chloro-2-phenylethyl)heptanamide.
What is the SMILES notation for N-(2-chloro-2-phenylethyl)heptanamide?
The canonical SMILES for N-(2-chloro-2-phenylethyl)heptanamide is CCCCCCC(=O)NCC(Cl)c1ccccc1.
What is the InChIKey of N-(2-chloro-2-phenylethyl)heptanamide?
The InChIKey is ODVCQLQXQHDMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-2-3-4-8-11-15(18)17-12-14(16)13-9-6-5-7-10-13/h5-7,9-10,14H,2-4,8,11-12H2,1H3,(H,17,18).
What are the key properties of N-(2-chloro-2-phenylethyl)heptanamide?
N-(2-chloro-2-phenylethyl)heptanamide has a molecular weight of 267.80 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-phenylethyl)heptanamide is sourced from PubChem (CID 114753979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).