3-chloro-N,N-dipropylbenzamide

C13H18ClNO — CID 669182

IUPAC3-chloro-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-3-8-15(9-4-2)13(16)11-6-5-7-12(14)10-11/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyMRHRRTXQAOTSRF-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.60
Rot. Bonds5

About 3-chloro-N,N-dipropylbenzamide

3-chloro-N,N-dipropylbenzamide (PubChem CID 669182) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-chloro-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-chloro-N,N-dipropylbenzamide
PubChem CID669182
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name3-chloro-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-3-8-15(9-4-2)13(16)11-6-5-7-12(14)10-11/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyMRHRRTXQAOTSRF-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(2-bromoethyl)-3-chloro-N-ethylbenzamide
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2-[(3-chlorobenzoyl)-ethylamino]acetic acid
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3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 7930247
N-butyl-3-chloro-N-(2,2,2-trifluoroethyl)benzamide
CID 78883501
1-N-(4-chlorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056617
3-[(3-chlorobenzoyl)-[2-(dimethylamino)ethyl]amino]propanoic acid
CID 82325352
3-methoxy-N,N-dipropylbenzamide
CID 669439
N-(2-chloroethyl)-3-fluoro-N-propylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-dipropylbenzamide?
The IUPAC name of 3-chloro-N,N-dipropylbenzamide (CID 669182) is 3-chloro-N,N-dipropylbenzamide.
What is the SMILES notation for 3-chloro-N,N-dipropylbenzamide?
The canonical SMILES for 3-chloro-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N,N-dipropylbenzamide?
The InChIKey is MRHRRTXQAOTSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-3-8-15(9-4-2)13(16)11-6-5-7-12(14)10-11/h5-7,10H,3-4,8-9H2,1-2H3.
What are the key properties of 3-chloro-N,N-dipropylbenzamide?
3-chloro-N,N-dipropylbenzamide has a molecular weight of 239.75 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-dipropylbenzamide is sourced from PubChem (CID 669182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).