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

C16H19ClN2O — CID 42759986

IUPAC3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-N-propylbenzamide
SMILESCCCN(Cc1cccn1C)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H19ClN2O/c1-3-9-19(12-15-8-5-10-18(15)2)16(20)13-6-4-7-14(17)11-13/h4-8,10-11H,3,9,12H2,1-2H3
InChIKeyFXSBDZRCJRNGOK-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.73
Rot. Bonds5

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

3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-N-propylbenzamide (PubChem CID 42759986) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-N-propylbenzamide
PubChem CID42759986
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-N-propylbenzamide
SMILESCCCN(Cc1cccn1C)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H19ClN2O/c1-3-9-19(12-15-8-5-10-18(15)2)16(20)13-6-4-7-14(17)11-13/h4-8,10-11H,3,9,12H2,1-2H3
InChIKeyFXSBDZRCJRNGOK-UHFFFAOYSA-N
XLogP3.73
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-N-prop-2-enylbenzamide
CID 810067
3-chloro-N,N-dipropylbenzamide
CID 669182
N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-chlorobenzamide
CID 5206596
N-benzyl-3-chloro-N-propylbenzamide
CID 71026265
3-chloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 810006
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-chloro-N-prop-2-enylbenzamide
CID 3255182
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylbenzamide
CID 42763924
3-bromo-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 4661017
3-chloro-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 4039810
3-chloro-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 1057199
3-methoxy-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 4270799
4-chloro-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-nitro-N-propylbenzamide
CID 42767742

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-N-propylbenzamide?
The IUPAC name of 3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-N-propylbenzamide (CID 42759986) is 3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-N-propylbenzamide.
What is the SMILES notation for 3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-N-propylbenzamide?
The canonical SMILES for 3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-N-propylbenzamide is CCCN(Cc1cccn1C)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-N-propylbenzamide?
The InChIKey is FXSBDZRCJRNGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-3-9-19(12-15-8-5-10-18(15)2)16(20)13-6-4-7-14(17)11-13/h4-8,10-11H,3,9,12H2,1-2H3.
What are the key properties of 3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-N-propylbenzamide?
3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-N-propylbenzamide has a molecular weight of 290.79 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-N-propylbenzamide is sourced from PubChem (CID 42759986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).