4-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide

C16H22ClFN2O — CID 107990973

IUPAC4-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCCNC1)C(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H22ClFN2O/c1-2-8-20(11-12-4-3-7-19-10-12)16(21)13-5-6-14(17)15(18)9-13/h5-6,9,12,19H,2-4,7-8,10-11H2,1H3
InChIKeySDCVZXFFWDAXLH-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.33
Rot. Bonds5

About 4-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide

4-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide (PubChem CID 107990973) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
PubChem CID107990973
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC Name4-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCCNC1)C(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H22ClFN2O/c1-2-8-20(11-12-4-3-7-19-10-12)16(21)13-5-6-14(17)15(18)9-13/h5-6,9,12,19H,2-4,7-8,10-11H2,1H3
InChIKeySDCVZXFFWDAXLH-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107990969
3-chloro-N-ethyl-4-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106629287
4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629289
2-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 106628436
4-fluoro-2-hydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 107016147
5-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106628225
4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990343
2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 106628169
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610422
4-chloro-N-(cyclopropylmethyl)-3-methylsulfonyl-N-propylbenzamide
CID 78785868
2-chloro-N-ethyl-3-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106629488
4-bromo-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
CID 106628202

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide?
The IUPAC name of 4-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide (CID 107990973) is 4-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide?
The canonical SMILES for 4-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide is CCCN(CC1CCCNC1)C(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide?
The InChIKey is SDCVZXFFWDAXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O/c1-2-8-20(11-12-4-3-7-19-10-12)16(21)13-5-6-14(17)15(18)9-13/h5-6,9,12,19H,2-4,7-8,10-11H2,1H3.
What are the key properties of 4-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide?
4-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide has a molecular weight of 312.82 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide is sourced from PubChem (CID 107990973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).