2-(4-chlorobutanoyl)-N-decylbenzamide

C21H32ClNO2 — CID 174407938

IUPAC2-(4-chlorobutanoyl)-N-decylbenzamide
SMILESCCCCCCCCCCNC(=O)c1ccccc1C(=O)CCCCl
InChIInChI=1S/C21H32ClNO2/c1-2-3-4-5-6-7-8-11-17-23-21(25)19-14-10-9-13-18(19)20(24)15-12-16-22/h9-10,13-14H,2-8,11-12,15-17H2,1H3,(H,23,25)
InChIKeyGWOWBLFXYSPBGW-UHFFFAOYSA-N
MW365.95 g/mol
LogP5.76
Rot. Bonds14

About 2-(4-chlorobutanoyl)-N-decylbenzamide

2-(4-chlorobutanoyl)-N-decylbenzamide (PubChem CID 174407938) has the molecular formula C21H32ClNO2 and a molecular weight of 365.95 g/mol. Its IUPAC name is 2-(4-chlorobutanoyl)-N-decylbenzamide.

Molecular Properties

Compound Name2-(4-chlorobutanoyl)-N-decylbenzamide
PubChem CID174407938
Molecular FormulaC21H32ClNO2
Molecular Weight365.95 g/mol
Exact Mass365.21
IUPAC Name2-(4-chlorobutanoyl)-N-decylbenzamide
SMILESCCCCCCCCCCNC(=O)c1ccccc1C(=O)CCCCl
InChIInChI=1S/C21H32ClNO2/c1-2-3-4-5-6-7-8-11-17-23-21(25)19-14-10-9-13-18(19)20(24)15-12-16-22/h9-10,13-14H,2-8,11-12,15-17H2,1H3,(H,23,25)
InChIKeyGWOWBLFXYSPBGW-UHFFFAOYSA-N
XLogP5.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.95
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-chloro-N-undecylbenzamide
CID 3373978
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
2-(pentylcarbamoyl)benzoate
CID 7429981
N-hexyl-2-methylbenzamide
CID 3017102
2-amino-N-dodecylbenzamide
CID 54099396
N-dodecylnaphthalene-1-carboxamide
CID 4278758
2-(hydroxymethyl)-N-tetradecylbenzamide
CID 23299401
2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide
CID 164886020
2-ethylsulfonyl-N-heptylbenzamide
CID 46779028
2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide
CID 17233378
2-methoxy-N-tridecylbenzamide
CID 139819873

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobutanoyl)-N-decylbenzamide?
The IUPAC name of 2-(4-chlorobutanoyl)-N-decylbenzamide (CID 174407938) is 2-(4-chlorobutanoyl)-N-decylbenzamide.
What is the SMILES notation for 2-(4-chlorobutanoyl)-N-decylbenzamide?
The canonical SMILES for 2-(4-chlorobutanoyl)-N-decylbenzamide is CCCCCCCCCCNC(=O)c1ccccc1C(=O)CCCCl.
What is the InChIKey of 2-(4-chlorobutanoyl)-N-decylbenzamide?
The InChIKey is GWOWBLFXYSPBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32ClNO2/c1-2-3-4-5-6-7-8-11-17-23-21(25)19-14-10-9-13-18(19)20(24)15-12-16-22/h9-10,13-14H,2-8,11-12,15-17H2,1H3,(H,23,25).
What are the key properties of 2-(4-chlorobutanoyl)-N-decylbenzamide?
2-(4-chlorobutanoyl)-N-decylbenzamide has a molecular weight of 365.95 g/mol, XLogP of 5.76, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobutanoyl)-N-decylbenzamide is sourced from PubChem (CID 174407938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).