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

C16H17ClN2O — CID 810006

IUPAC3-chloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
SMILESCn1cccc1CN(C(=O)c1cccc(Cl)c1)C1CC1
InChIInChI=1S/C16H17ClN2O/c1-18-9-3-6-15(18)11-19(14-7-8-14)16(20)12-4-2-5-13(17)10-12/h2-6,9-10,14H,7-8,11H2,1H3
InChIKeyJAVGGGGNVGNBKG-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.48
Rot. Bonds4

About 3-chloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide

3-chloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide (PubChem CID 810006) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
PubChem CID810006
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name3-chloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
SMILESCn1cccc1CN(C(=O)c1cccc(Cl)c1)C1CC1
InChIInChI=1S/C16H17ClN2O/c1-18-9-3-6-15(18)11-19(14-7-8-14)16(20)12-4-2-5-13(17)10-12/h2-6,9-10,14H,7-8,11H2,1H3
InChIKeyJAVGGGGNVGNBKG-UHFFFAOYSA-N
XLogP3.48
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 1057199
2,4-dichloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 42759766
3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-N-propylbenzamide
CID 42759986
3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1057124
2-chloro-N-cyclopropyl-6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 90495850
3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-N-prop-2-enylbenzamide
CID 810067
2-chloro-N-cyclopentyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 100787805
3-chloro-N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzamide
CID 90569872
3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 4212133
3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 43576965
1-cyclopropyl-3-(2,6-dichlorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea
CID 42760064
N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]furan-2-carboxamide
CID 42759774

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The IUPAC name of 3-chloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide (CID 810006) is 3-chloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide is Cn1cccc1CN(C(=O)c1cccc(Cl)c1)C1CC1.
What is the InChIKey of 3-chloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The InChIKey is JAVGGGGNVGNBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-18-9-3-6-15(18)11-19(14-7-8-14)16(20)12-4-2-5-13(17)10-12/h2-6,9-10,14H,7-8,11H2,1H3.
What are the key properties of 3-chloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
3-chloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide has a molecular weight of 288.78 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide is sourced from PubChem (CID 810006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).