4-chloro-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide

C14H18ClFN2O — CID 107990969

IUPAC4-chloro-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
SMILESCN(CC1CCCNC1)C(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H18ClFN2O/c1-18(9-10-3-2-6-17-8-10)14(19)11-4-5-12(15)13(16)7-11/h4-5,7,10,17H,2-3,6,8-9H2,1H3
InChIKeyBOLJRNMQMTXHEQ-UHFFFAOYSA-N
MW284.76 g/mol
LogP2.55
Rot. Bonds3

About 4-chloro-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide

4-chloro-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 107990969) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
PubChem CID107990969
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name4-chloro-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
SMILESCN(CC1CCCNC1)C(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H18ClFN2O/c1-18(9-10-3-2-6-17-8-10)14(19)11-4-5-12(15)13(16)7-11/h4-5,7,10,17H,2-3,6,8-9H2,1H3
InChIKeyBOLJRNMQMTXHEQ-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 107990973
4-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627732
3-chloro-N-ethyl-4-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106629287
2-chloro-5-hydroxy-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627741
3-chloro-N,5-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627859
4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990343
4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629289
2-fluoro-N,5-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628063
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 104870292
5-fluoro-N,2-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627610
N-methyl-N-(piperidin-3-ylmethyl)pyrimidine-5-carboxamide
CID 106627674
2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627953

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 4-chloro-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide (CID 107990969) is 4-chloro-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide is CN(CC1CCCNC1)C(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is BOLJRNMQMTXHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c1-18(9-10-3-2-6-17-8-10)14(19)11-4-5-12(15)13(16)7-11/h4-5,7,10,17H,2-3,6,8-9H2,1H3.
What are the key properties of 4-chloro-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide?
4-chloro-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 284.76 g/mol, XLogP of 2.55, 3 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-methyl-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 107990969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).