2-chloro-N-cyclopropyl-6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]benzamide

C16H16ClFN2O — CID 90495850

IUPAC2-chloro-N-cyclopropyl-6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]benzamide
SMILESCn1cccc1CN(C(=O)c1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C16H16ClFN2O/c1-19-9-3-4-12(19)10-20(11-7-8-11)16(21)15-13(17)5-2-6-14(15)18/h2-6,9,11H,7-8,10H2,1H3
InChIKeyVZJQTRRWRLPIJE-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.62
Rot. Bonds4

About 2-chloro-N-cyclopropyl-6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]benzamide

2-chloro-N-cyclopropyl-6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]benzamide (PubChem CID 90495850) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]benzamide
PubChem CID90495850
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name2-chloro-N-cyclopropyl-6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]benzamide
SMILESCn1cccc1CN(C(=O)c1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C16H16ClFN2O/c1-19-9-3-4-12(19)10-20(11-7-8-11)16(21)15-13(17)5-2-6-14(15)18/h2-6,9,11H,7-8,10H2,1H3
InChIKeyVZJQTRRWRLPIJE-UHFFFAOYSA-N
XLogP3.62
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 42759766
3-chloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 810006
1-cyclopropyl-3-(2,6-dichlorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea
CID 42760064
N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 811191
N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]furan-2-carboxamide
CID 42759774
N-cyclopropyl-2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 42759797
N-cyclopropyl-2-(4-fluorophenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 90495847
2-bromo-N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 114559517
2-[(3-chloro-4-fluorophenyl)carbamoyl-propan-2-ylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1057269
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-fluoro-N-(3-methoxypropyl)benzamide
CID 4033820
N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]-2,2-diphenylacetamide
CID 809989
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-fluoro-N-propan-2-ylbenzamide
CID 1057094

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]benzamide (CID 90495850) is 2-chloro-N-cyclopropyl-6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]benzamide is Cn1cccc1CN(C(=O)c1c(F)cccc1Cl)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The InChIKey is VZJQTRRWRLPIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-19-9-3-4-12(19)10-20(11-7-8-11)16(21)15-13(17)5-2-6-14(15)18/h2-6,9,11H,7-8,10H2,1H3.
What are the key properties of 2-chloro-N-cyclopropyl-6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
2-chloro-N-cyclopropyl-6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]benzamide has a molecular weight of 306.77 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]benzamide is sourced from PubChem (CID 90495850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).