5-amino-2-chloro-N,N-dipropylbenzamide

C13H19ClN2O — CID 16777206

IUPAC5-amino-2-chloro-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-3-7-16(8-4-2)13(17)11-9-10(15)5-6-12(11)14/h5-6,9H,3-4,7-8,15H2,1-2H3
InChIKeyUUZMESJEFDNUIE-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.18
Rot. Bonds5

About 5-amino-2-chloro-N,N-dipropylbenzamide

5-amino-2-chloro-N,N-dipropylbenzamide (PubChem CID 16777206) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 5-amino-2-chloro-N,N-dipropylbenzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N,N-dipropylbenzamide
PubChem CID16777206
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name5-amino-2-chloro-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-3-7-16(8-4-2)13(17)11-9-10(15)5-6-12(11)14/h5-6,9H,3-4,7-8,15H2,1-2H3
InChIKeyUUZMESJEFDNUIE-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

5-amino-2-chloro-N,N-bis(3-methylbutyl)benzamide
CID 61106628
5-amino-2-chloro-N-(4-fluorophenyl)-N-propylbenzamide
CID 122618788
2-amino-4-chloro-N,N-dipropylbenzamide
CID 16771430
5-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655961
N,N-dibutyl-2-chloro-5-hydroxybenzamide
CID 106501357
5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 61289864
2-chloro-N-(2-hydroxyethyl)-5-nitro-N-propylbenzamide
CID 60747371
ethyl 2-[(5-amino-2-chlorobenzoyl)-methylamino]acetate
CID 54969553
5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide
CID 62001590
2-amino-N,N-dipropylbenzamide
CID 16769117
N-(3-aminophenyl)-2,5-dichloro-N-propylbenzamide
CID 63229945
2-amino-5-methyl-N,N-dipropylbenzamide
CID 62073624

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N,N-dipropylbenzamide?
The IUPAC name of 5-amino-2-chloro-N,N-dipropylbenzamide (CID 16777206) is 5-amino-2-chloro-N,N-dipropylbenzamide.
What is the SMILES notation for 5-amino-2-chloro-N,N-dipropylbenzamide?
The canonical SMILES for 5-amino-2-chloro-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 5-amino-2-chloro-N,N-dipropylbenzamide?
The InChIKey is UUZMESJEFDNUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-7-16(8-4-2)13(17)11-9-10(15)5-6-12(11)14/h5-6,9H,3-4,7-8,15H2,1-2H3.
What are the key properties of 5-amino-2-chloro-N,N-dipropylbenzamide?
5-amino-2-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 5-amino-2-chloro-N,N-dipropylbenzamide is sourced from PubChem (CID 16777206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).