4-chloro-3-(pentylamino)benzamide

C12H17ClN2O — CID 43679378

IUPAC4-chloro-3-(pentylamino)benzamide
SMILESCCCCCNc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-2-3-4-7-15-11-8-9(12(14)16)5-6-10(11)13/h5-6,8,15H,2-4,7H2,1H3,(H2,14,16)
InChIKeyQFELKWBAKNNUQY-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.04
Rot. Bonds6

About 4-chloro-3-(pentylamino)benzamide

4-chloro-3-(pentylamino)benzamide (PubChem CID 43679378) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-chloro-3-(pentylamino)benzamide.

Molecular Properties

Compound Name4-chloro-3-(pentylamino)benzamide
PubChem CID43679378
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-chloro-3-(pentylamino)benzamide
SMILESCCCCCNc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-2-3-4-7-15-11-8-9(12(14)16)5-6-10(11)13/h5-6,8,15H,2-4,7H2,1H3,(H2,14,16)
InChIKeyQFELKWBAKNNUQY-UHFFFAOYSA-N
XLogP3.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-(hexylamino)benzamide
CID 43679410
4-chloro-N,N-dimethyl-3-(pentylamino)benzamide
CID 43738706
4-(heptylamino)-3-methylbenzamide
CID 43706885
3-chloro-4-[(pentylamino)methyl]benzamide
CID 102663787
4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide
CID 106816294
1-[4-chloro-3-(3-hydroxypropylamino)phenyl]ethanone
CID 82535645
3-chloro-4-(2-hydroxyethylamino)benzamide
CID 141166266
4-chloro-3-(pentylcarbamoylamino)benzoic acid
CID 61181680
3-[(3-bromo-4-methylphenyl)methylamino]-4-chlorobenzamide
CID 105401162
4-(methylamino)-3-(pentylamino)benzoic acid
CID 18929721
5-(2-chloro-5-methoxyanilino)pentanamide
CID 114281598
4-(2-aminoethylamino)-3-chlorobenzamide
CID 63092115

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(pentylamino)benzamide?
The IUPAC name of 4-chloro-3-(pentylamino)benzamide (CID 43679378) is 4-chloro-3-(pentylamino)benzamide.
What is the SMILES notation for 4-chloro-3-(pentylamino)benzamide?
The canonical SMILES for 4-chloro-3-(pentylamino)benzamide is CCCCCNc1cc(C(N)=O)ccc1Cl.
What is the InChIKey of 4-chloro-3-(pentylamino)benzamide?
The InChIKey is QFELKWBAKNNUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-2-3-4-7-15-11-8-9(12(14)16)5-6-10(11)13/h5-6,8,15H,2-4,7H2,1H3,(H2,14,16).
What are the key properties of 4-chloro-3-(pentylamino)benzamide?
4-chloro-3-(pentylamino)benzamide has a molecular weight of 240.73 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(pentylamino)benzamide is sourced from PubChem (CID 43679378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).