2-amino-4-chloro-N,N-dipropylbenzamide

C13H19ClN2O — CID 16771430

IUPAC2-amino-4-chloro-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C13H19ClN2O/c1-3-7-16(8-4-2)13(17)11-6-5-10(14)9-12(11)15/h5-6,9H,3-4,7-8,15H2,1-2H3
InChIKeyHBPABOQOMACKIQ-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.18
Rot. Bonds5

About 2-amino-4-chloro-N,N-dipropylbenzamide

2-amino-4-chloro-N,N-dipropylbenzamide (PubChem CID 16771430) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-amino-4-chloro-N,N-dipropylbenzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N,N-dipropylbenzamide
PubChem CID16771430
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-amino-4-chloro-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C13H19ClN2O/c1-3-7-16(8-4-2)13(17)11-6-5-10(14)9-12(11)15/h5-6,9H,3-4,7-8,15H2,1-2H3
InChIKeyHBPABOQOMACKIQ-UHFFFAOYSA-N
XLogP3.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-chloro-N,N-diethylbenzamide
CID 16773722
2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655751
2-bromo-5-chloro-N,N-dipropylbenzamide
CID 78849542
2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 43345854
2-amino-4-chloro-N-methylbenzohydrazide
CID 145125072
2-amino-N,N-dipropylbenzamide
CID 16769117
2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
CID 61115159
5-amino-2-chloro-N,N-dipropylbenzamide
CID 16777206
2-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-N-propylbenzamide
CID 63110466
2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 43295321
2-amino-N,N-dipropylbenzamide;hydrochloride
CID 119943594
2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 61138545

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N,N-dipropylbenzamide?
The IUPAC name of 2-amino-4-chloro-N,N-dipropylbenzamide (CID 16771430) is 2-amino-4-chloro-N,N-dipropylbenzamide.
What is the SMILES notation for 2-amino-4-chloro-N,N-dipropylbenzamide?
The canonical SMILES for 2-amino-4-chloro-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N,N-dipropylbenzamide?
The InChIKey is HBPABOQOMACKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-7-16(8-4-2)13(17)11-6-5-10(14)9-12(11)15/h5-6,9H,3-4,7-8,15H2,1-2H3.
What are the key properties of 2-amino-4-chloro-N,N-dipropylbenzamide?
2-amino-4-chloro-N,N-dipropylbenzamide has a molecular weight of 254.76 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N,N-dipropylbenzamide is sourced from PubChem (CID 16771430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).