2,4-dichloro-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzamide

C15H16Cl2N2O — CID 110415725

IUPAC2,4-dichloro-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzamide
SMILESCc1cc(CCNC(=O)c2ccc(Cl)cc2Cl)c(C)[nH]1
InChIInChI=1S/C15H16Cl2N2O/c1-9-7-11(10(2)19-9)5-6-18-15(20)13-4-3-12(16)8-14(13)17/h3-4,7-8,19H,5-6H2,1-2H3,(H,18,20)
InChIKeyDHAMIPVOMWBEMG-UHFFFAOYSA-N
MW311.21 g/mol
LogP3.91
Rot. Bonds4

About 2,4-dichloro-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzamide

2,4-dichloro-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzamide (PubChem CID 110415725) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzamide
PubChem CID110415725
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name2,4-dichloro-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzamide
SMILESCc1cc(CCNC(=O)c2ccc(Cl)cc2Cl)c(C)[nH]1
InChIInChI=1S/C15H16Cl2N2O/c1-9-7-11(10(2)19-9)5-6-18-15(20)13-4-3-12(16)8-14(13)17/h3-4,7-8,19H,5-6H2,1-2H3,(H,18,20)
InChIKeyDHAMIPVOMWBEMG-UHFFFAOYSA-N
XLogP3.91
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 4147135
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4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-2-hydroxybenzamide
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2,4-dichloro-N-(4-methylpentyl)benzamide
CID 3288141
2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
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2,4-dichloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]benzamide
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CID 114917183

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzamide (CID 110415725) is 2,4-dichloro-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzamide is Cc1cc(CCNC(=O)c2ccc(Cl)cc2Cl)c(C)[nH]1.
What is the InChIKey of 2,4-dichloro-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzamide?
The InChIKey is DHAMIPVOMWBEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-9-7-11(10(2)19-9)5-6-18-15(20)13-4-3-12(16)8-14(13)17/h3-4,7-8,19H,5-6H2,1-2H3,(H,18,20).
What are the key properties of 2,4-dichloro-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzamide?
2,4-dichloro-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzamide has a molecular weight of 311.21 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzamide is sourced from PubChem (CID 110415725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).