3,5-dichloro-N-propylbenzamide

C10H11Cl2NO — CID 2767298

IUPAC3,5-dichloro-N-propylbenzamide
SMILESCCCNC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H11Cl2NO/c1-2-3-13-10(14)7-4-8(11)6-9(12)5-7/h4-6H,2-3H2,1H3,(H,13,14)
InChIKeyMPELDPYJXWGKJS-UHFFFAOYSA-N
MW232.11 g/mol
LogP3.13
Rot. Bonds3

About 3,5-dichloro-N-propylbenzamide

3,5-dichloro-N-propylbenzamide (PubChem CID 2767298) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 3,5-dichloro-N-propylbenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-propylbenzamide
PubChem CID2767298
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name3,5-dichloro-N-propylbenzamide
SMILESCCCNC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H11Cl2NO/c1-2-3-13-10(14)7-4-8(11)6-9(12)5-7/h4-6H,2-3H2,1H3,(H,13,14)
InChIKeyMPELDPYJXWGKJS-UHFFFAOYSA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,3-N-bis(2-hydroxyethyl)-5-N-propylbenzene-1,3,5-tricarboxamide
CID 58035795
4-N-(3,5-dichlorophenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109043049
3,5-dichloro-N-(2-methylsulfonylethyl)benzamide
CID 47230479
ethyl 3-[(3,5-dichlorobenzoyl)amino]propanoate
CID 47437680
3,5-diamino-N-propylbenzamide
CID 20701636
5-hydroxy-1-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 15027317
N-(3-aminobutyl)-3,5-dichlorobenzamide
CID 63253948
3-[(3,5-dichlorobenzoyl)amino]propyl-diethylazanium chloride
CID 20787024
N-(5-bromopentyl)-3,5-dichlorobenzamide
CID 107322072
tert-butyl N-[2-[(3,5-dichlorobenzoyl)amino]ethyl]carbamate
CID 52778263
3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
CID 107941216
3,5-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 113430430

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-propylbenzamide?
The IUPAC name of 3,5-dichloro-N-propylbenzamide (CID 2767298) is 3,5-dichloro-N-propylbenzamide.
What is the SMILES notation for 3,5-dichloro-N-propylbenzamide?
The canonical SMILES for 3,5-dichloro-N-propylbenzamide is CCCNC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-propylbenzamide?
The InChIKey is MPELDPYJXWGKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-2-3-13-10(14)7-4-8(11)6-9(12)5-7/h4-6H,2-3H2,1H3,(H,13,14).
What are the key properties of 3,5-dichloro-N-propylbenzamide?
3,5-dichloro-N-propylbenzamide has a molecular weight of 232.11 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-propylbenzamide is sourced from PubChem (CID 2767298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).