2,4-dichloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide

C16H16Cl2N2O — CID 42759766

IUPAC2,4-dichloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
SMILESCn1cccc1CN(C(=O)c1ccc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C16H16Cl2N2O/c1-19-8-2-3-13(19)10-20(12-5-6-12)16(21)14-7-4-11(17)9-15(14)18/h2-4,7-9,12H,5-6,10H2,1H3
InChIKeyNCLFEGHFVMDPDG-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.14
Rot. Bonds4

About 2,4-dichloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide

2,4-dichloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide (PubChem CID 42759766) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 2,4-dichloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
PubChem CID42759766
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name2,4-dichloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
SMILESCn1cccc1CN(C(=O)c1ccc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C16H16Cl2N2O/c1-19-8-2-3-13(19)10-20(12-5-6-12)16(21)14-7-4-11(17)9-15(14)18/h2-4,7-9,12H,5-6,10H2,1H3
InChIKeyNCLFEGHFVMDPDG-UHFFFAOYSA-N
XLogP4.14
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 810006
2-chloro-N-cyclopropyl-6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 90495850
N-cyclopropyl-2,4-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 810000
N-cyclopropyl-2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 42759797
1-cyclopropyl-3-(2,6-dichlorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea
CID 42760064
N-butan-2-yl-2-chloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-nitrobenzamide
CID 3449553
N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]furan-2-carboxamide
CID 42759774
3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1057124
2,4-dichloro-N-cyclopropyl-N-[2-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl-prop-2-enylamino]-2-oxoethyl]benzamide
CID 4202120
N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3969066
N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 811191
3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 4212133

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide (CID 42759766) is 2,4-dichloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide is Cn1cccc1CN(C(=O)c1ccc(Cl)cc1Cl)C1CC1.
What is the InChIKey of 2,4-dichloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The InChIKey is NCLFEGHFVMDPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-19-8-2-3-13(19)10-20(12-5-6-12)16(21)14-7-4-11(17)9-15(14)18/h2-4,7-9,12H,5-6,10H2,1H3.
What are the key properties of 2,4-dichloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
2,4-dichloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide has a molecular weight of 323.22 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide is sourced from PubChem (CID 42759766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).