4-chloro-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide

C14H14ClN3O3 — CID 87045785

IUPAC4-chloro-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)c2cc(Cl)c[nH]2)c1
InChIInChI=1S/C14H14ClN3O3/c1-16-13(19)8-3-4-12(21-2)10(5-8)18-14(20)11-6-9(15)7-17-11/h3-7,17H,1-2H3,(H,16,19)(H,18,20)
InChIKeyLTYIVJZVZYPEDY-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.29
Rot. Bonds4

About 4-chloro-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide

4-chloro-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 87045785) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 4-chloro-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID87045785
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name4-chloro-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)c2cc(Cl)c[nH]2)c1
InChIInChI=1S/C14H14ClN3O3/c1-16-13(19)8-3-4-12(21-2)10(5-8)18-14(20)11-6-9(15)7-17-11/h3-7,17H,1-2H3,(H,16,19)(H,18,20)
InChIKeyLTYIVJZVZYPEDY-UHFFFAOYSA-N
XLogP2.29
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-[(3-methoxybenzoyl)amino]-N-methylbenzamide
CID 87001832
N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673
3-[(2-cyanoacetyl)amino]-4-methoxy-N-methylbenzamide
CID 168521072
1-(4-chlorophenyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 78887347
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 18123039
3-[2-(4-chloro-2-methylphenoxy)propanoylamino]-4-methoxy-N-methylbenzamide
CID 87001794
3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid
CID 28673376
N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 87004486
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 4-chloro-1H-pyrrole-2-carboxylate
CID 41291652
6-(dimethylamino)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 78887354
4-chloro-N'-(4-chlorobenzoyl)-1H-pyrrole-2-carbohydrazide
CID 18106742
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-iodobenzamide
CID 38886565

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide (CID 87045785) is 4-chloro-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide is CNC(=O)c1ccc(OC)c(NC(=O)c2cc(Cl)c[nH]2)c1.
What is the InChIKey of 4-chloro-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is LTYIVJZVZYPEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-16-13(19)8-3-4-12(21-2)10(5-8)18-14(20)11-6-9(15)7-17-11/h3-7,17H,1-2H3,(H,16,19)(H,18,20).
What are the key properties of 4-chloro-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 307.74 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 87045785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).