N-[(2-chlorophenyl)methyl]tetradecanamide

C21H34ClNO — CID 54789460

IUPACN-[(2-chlorophenyl)methyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C21H34ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-17-21(24)23-18-19-15-13-14-16-20(19)22/h13-16H,2-12,17-18H2,1H3,(H,23,24)
InChIKeyCBCUAYYRUHAXTQ-UHFFFAOYSA-N
MW351.96 g/mol
LogP6.66
Rot. Bonds14

About N-[(2-chlorophenyl)methyl]tetradecanamide

N-[(2-chlorophenyl)methyl]tetradecanamide (PubChem CID 54789460) has the molecular formula C21H34ClNO and a molecular weight of 351.96 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]tetradecanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]tetradecanamide
PubChem CID54789460
Molecular FormulaC21H34ClNO
Molecular Weight351.96 g/mol
Exact Mass351.23
IUPAC NameN-[(2-chlorophenyl)methyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C21H34ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-17-21(24)23-18-19-15-13-14-16-20(19)22/h13-16H,2-12,17-18H2,1H3,(H,23,24)
InChIKeyCBCUAYYRUHAXTQ-UHFFFAOYSA-N
XLogP6.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.96
LogP ≤ 56.66
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

N-[[2-[(tricosanoylamino)methyl]phenyl]methyl]tricosanamide
CID 101291084
N-[(2-hydroxyphenyl)methyl]octadecanamide
CID 154122787
4-amino-N-[(2-chlorophenyl)methyl]butanamide
CID 22692149
N-[(2-fluorophenyl)methyl]hexanamide
CID 17068300
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911
N-[(3-chloro-2-fluorophenyl)methyl]pentanamide
CID 156569845
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
1-(2-chlorophenyl)decan-2-one
CID 63409482
N-benzylundecanamide
CID 5078198
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-(2-chlorophenyl)octanamide
CID 2292983
N-[(3,4-dichlorophenyl)methyl]nonanamide
CID 4058649

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]tetradecanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]tetradecanamide (CID 54789460) is N-[(2-chlorophenyl)methyl]tetradecanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]tetradecanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]tetradecanamide is CCCCCCCCCCCCCC(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]tetradecanamide?
The InChIKey is CBCUAYYRUHAXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-17-21(24)23-18-19-15-13-14-16-20(19)22/h13-16H,2-12,17-18H2,1H3,(H,23,24).
What are the key properties of N-[(2-chlorophenyl)methyl]tetradecanamide?
N-[(2-chlorophenyl)methyl]tetradecanamide has a molecular weight of 351.96 g/mol, XLogP of 6.66, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]tetradecanamide is sourced from PubChem (CID 54789460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).