3-chloro-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide

C16H20ClFN2O — CID 106608668

IUPAC3-chloro-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(c1cccc(Cl)c1F)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C16H20ClFN2O/c17-14-5-1-4-13(15(14)18)16(21)20(9-11-6-7-11)10-12-3-2-8-19-12/h1,4-5,11-12,19H,2-3,6-10H2
InChIKeySYHSZBPBWWMNDZ-UHFFFAOYSA-N
MW310.80 g/mol
LogP3.08
Rot. Bonds5

About 3-chloro-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide

3-chloro-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106608668) has the molecular formula C16H20ClFN2O and a molecular weight of 310.80 g/mol. Its IUPAC name is 3-chloro-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106608668
Molecular FormulaC16H20ClFN2O
Molecular Weight310.80 g/mol
Exact Mass310.12
IUPAC Name3-chloro-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(c1cccc(Cl)c1F)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C16H20ClFN2O/c17-14-5-1-4-13(15(14)18)16(21)20(9-11-6-7-11)10-12-3-2-8-19-12/h1,4-5,11-12,19H,2-3,6-10H2
InChIKeySYHSZBPBWWMNDZ-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-2-hydroxy-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608359
4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608308
4-bromo-2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608555
2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide
CID 106688645
2,3-difluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611182
5-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
CID 106608722
3-chloro-N-(cyclopropylmethyl)-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608291
5-bromo-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608490
N-(cyclopropylmethyl)-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608699
2-chloro-N-ethyl-3-fluoro-N-(piperidin-2-ylmethyl)benzamide
CID 106626140
2-chloro-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609343
N-(cyclopropylmethyl)-5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 106608284

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 3-chloro-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106608668) is 3-chloro-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide is O=C(c1cccc(Cl)c1F)N(CC1CC1)CC1CCCN1.
What is the InChIKey of 3-chloro-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is SYHSZBPBWWMNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2O/c17-14-5-1-4-13(15(14)18)16(21)20(9-11-6-7-11)10-12-3-2-8-19-12/h1,4-5,11-12,19H,2-3,6-10H2.
What are the key properties of 3-chloro-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide?
3-chloro-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 310.80 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106608668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).