N-[(2,4-dichlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-2-pyrrol-1-ylbenzamide

C27H24Cl2N2O3 — CID 20760414

IUPACN-[(2,4-dichlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-2-pyrrol-1-ylbenzamide
SMILESCOc1ccc(CN(Cc2ccc(Cl)cc2Cl)C(=O)c2ccccc2-n2cccc2)c(OC)c1
InChIInChI=1S/C27H24Cl2N2O3/c1-33-22-12-10-20(26(16-22)34-2)18-31(17-19-9-11-21(28)15-24(19)29)27(32)23-7-3-4-8-25(23)30-13-5-6-14-30/h3-16H,17-18H2,1-2H3
InChIKeyKVUABDURDWJPBS-UHFFFAOYSA-N
MW495.41 g/mol
LogP6.64
Rot. Bonds8

About N-[(2,4-dichlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-2-pyrrol-1-ylbenzamide

N-[(2,4-dichlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-2-pyrrol-1-ylbenzamide (PubChem CID 20760414) has the molecular formula C27H24Cl2N2O3 and a molecular weight of 495.41 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-2-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-2-pyrrol-1-ylbenzamide
PubChem CID20760414
Molecular FormulaC27H24Cl2N2O3
Molecular Weight495.41 g/mol
Exact Mass494.12
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-2-pyrrol-1-ylbenzamide
SMILESCOc1ccc(CN(Cc2ccc(Cl)cc2Cl)C(=O)c2ccccc2-n2cccc2)c(OC)c1
InChIInChI=1S/C27H24Cl2N2O3/c1-33-22-12-10-20(26(16-22)34-2)18-31(17-19-9-11-21(28)15-24(19)29)27(32)23-7-3-4-8-25(23)30-13-5-6-14-30/h3-16H,17-18H2,1-2H3
InChIKeyKVUABDURDWJPBS-UHFFFAOYSA-N
XLogP6.64
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.41
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-pyrrol-1-ylbenzamide
CID 22566961
N-[(2-chloro-4-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2-pyrrol-1-ylbenzamide
CID 22567018
N-[(2-methoxyphenyl)methyl]-N-[(2-phenylphenyl)methyl]-2-pyrrol-1-ylbenzamide
CID 10310864
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]pentanamide
CID 42709089
2-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
CID 141052915
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxy-N-methylbenzamide
CID 18111735
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide
CID 108986644
2-(4-chlorophenyl)sulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 112781383
4,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-(2-methylbenzoyl)pyridine-2-carboxamide
CID 166822311
1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanone
CID 78906437
N-[(2,4-dichlorophenyl)methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
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CID 33100291

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-2-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-2-pyrrol-1-ylbenzamide (CID 20760414) is N-[(2,4-dichlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-2-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-2-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-2-pyrrol-1-ylbenzamide is COc1ccc(CN(Cc2ccc(Cl)cc2Cl)C(=O)c2ccccc2-n2cccc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-2-pyrrol-1-ylbenzamide?
The InChIKey is KVUABDURDWJPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl2N2O3/c1-33-22-12-10-20(26(16-22)34-2)18-31(17-19-9-11-21(28)15-24(19)29)27(32)23-7-3-4-8-25(23)30-13-5-6-14-30/h3-16H,17-18H2,1-2H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-2-pyrrol-1-ylbenzamide?
N-[(2,4-dichlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-2-pyrrol-1-ylbenzamide has a molecular weight of 495.41 g/mol, XLogP of 6.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-2-pyrrol-1-ylbenzamide is sourced from PubChem (CID 20760414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).