4-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide

C14H18ClFN2O — CID 47031098

IUPAC4-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1ccc(Cl)cc1F)N1CCCC1
InChIInChI=1S/C14H18ClFN2O/c1-10(18-6-2-3-7-18)9-17-14(19)12-5-4-11(15)8-13(12)16/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,17,19)
InChIKeyWZNIWVLDNIRTSY-UHFFFAOYSA-N
MW284.76 g/mol
LogP2.69
Rot. Bonds4

About 4-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide

4-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 47031098) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
PubChem CID47031098
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name4-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1ccc(Cl)cc1F)N1CCCC1
InChIInChI=1S/C14H18ClFN2O/c1-10(18-6-2-3-7-18)9-17-14(19)12-5-4-11(15)8-13(12)16/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,17,19)
InChIKeyWZNIWVLDNIRTSY-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031099
2-chloro-4-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031094
4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47187389
2,3-difluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 78918066
4-chloro-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102915104
4-chloro-N-(2-piperidin-1-ylpropyl)pyridine-2-carboxamide
CID 61053300
2,3-dihydroxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 114344224
2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide
CID 80718351
2-fluoro-6-hydroxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 104916991
2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 61053126
4-chloro-2-fluoro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8533201
5-bromo-2-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 78991392

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide (CID 47031098) is 4-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide is CC(CNC(=O)c1ccc(Cl)cc1F)N1CCCC1.
What is the InChIKey of 4-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is WZNIWVLDNIRTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c1-10(18-6-2-3-7-18)9-17-14(19)12-5-4-11(15)8-13(12)16/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,17,19).
What are the key properties of 4-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide?
4-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 284.76 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 47031098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).