N-[(2-chlorophenyl)methyl]-4-heptoxybenzamide

C21H26ClNO2 — CID 17194170

IUPACN-[(2-chlorophenyl)methyl]-4-heptoxybenzamide
SMILESCCCCCCCOc1ccc(C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C21H26ClNO2/c1-2-3-4-5-8-15-25-19-13-11-17(12-14-19)21(24)23-16-18-9-6-7-10-20(18)22/h6-7,9-14H,2-5,8,15-16H2,1H3,(H,23,24)
InChIKeyHSFMSTZKWDGQNK-UHFFFAOYSA-N
MW359.90 g/mol
LogP5.62
Rot. Bonds10

About N-[(2-chlorophenyl)methyl]-4-heptoxybenzamide

N-[(2-chlorophenyl)methyl]-4-heptoxybenzamide (PubChem CID 17194170) has the molecular formula C21H26ClNO2 and a molecular weight of 359.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-heptoxybenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-heptoxybenzamide
PubChem CID17194170
Molecular FormulaC21H26ClNO2
Molecular Weight359.90 g/mol
Exact Mass359.17
IUPAC NameN-[(2-chlorophenyl)methyl]-4-heptoxybenzamide
SMILESCCCCCCCOc1ccc(C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C21H26ClNO2/c1-2-3-4-5-8-15-25-19-13-11-17(12-14-19)21(24)23-16-18-9-6-7-10-20(18)22/h6-7,9-14H,2-5,8,15-16H2,1H3,(H,23,24)
InChIKeyHSFMSTZKWDGQNK-UHFFFAOYSA-N
XLogP5.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.90
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]benzamide
CID 7973208
N-[(2-fluorophenyl)methyl]-4-pentoxybenzamide
CID 17068474
4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide
CID 7973201
N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide
CID 43887413
4-butoxy-N-hexadecylbenzamide
CID 4936106
N-(furan-2-ylmethyl)-4-heptoxybenzamide
CID 3131904
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
4-hexoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 26163669
N'-[2-(2-chlorophenoxy)propanoyl]-4-hexoxybenzohydrazide
CID 4932335
4-heptoxy-N-methylbenzamide
CID 3291691
4-butoxy-N-[5-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 44956727
4-butoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56516937

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-heptoxybenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-heptoxybenzamide (CID 17194170) is N-[(2-chlorophenyl)methyl]-4-heptoxybenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-heptoxybenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-heptoxybenzamide is CCCCCCCOc1ccc(C(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-heptoxybenzamide?
The InChIKey is HSFMSTZKWDGQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO2/c1-2-3-4-5-8-15-25-19-13-11-17(12-14-19)21(24)23-16-18-9-6-7-10-20(18)22/h6-7,9-14H,2-5,8,15-16H2,1H3,(H,23,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-heptoxybenzamide?
N-[(2-chlorophenyl)methyl]-4-heptoxybenzamide has a molecular weight of 359.90 g/mol, XLogP of 5.62, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-heptoxybenzamide is sourced from PubChem (CID 17194170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).