N-(4-anilinophenyl)-4-chloro-1-methylpyrrole-2-carboxamide

C18H16ClN3O — CID 47015100

IUPACN-(4-anilinophenyl)-4-chloro-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C18H16ClN3O/c1-22-12-13(19)11-17(22)18(23)21-16-9-7-15(8-10-16)20-14-5-3-2-4-6-14/h2-12,20H,1H3,(H,21,23)
InChIKeyAIPFERUUQUNJTJ-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.67
Rot. Bonds4

About N-(4-anilinophenyl)-4-chloro-1-methylpyrrole-2-carboxamide

N-(4-anilinophenyl)-4-chloro-1-methylpyrrole-2-carboxamide (PubChem CID 47015100) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-(4-anilinophenyl)-4-chloro-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-4-chloro-1-methylpyrrole-2-carboxamide
PubChem CID47015100
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-(4-anilinophenyl)-4-chloro-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C18H16ClN3O/c1-22-12-13(19)11-17(22)18(23)21-16-9-7-15(8-10-16)20-14-5-3-2-4-6-14/h2-12,20H,1H3,(H,21,23)
InChIKeyAIPFERUUQUNJTJ-UHFFFAOYSA-N
XLogP4.67
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]benzoic acid
CID 28740773
N-(3-bromo-4-iodophenyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 114262157
4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60804145
N-(4-anilinophenyl)-3,5-dichlorobenzamide
CID 17133461
[1-methyl-5-[[4-[1-methyl-5-(phenylcarbamoyl)pyrrol-3-yl]phenyl]carbamoyl]pyrrol-3-yl]carbamic acid
CID 135351177
N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-chloro-1-methylpyrrole-2-carboxamide
CID 136521083
N-[2-(aminomethyl)phenyl]-4-chloro-1-methylpyrrole-2-carboxamide
CID 64884680
N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104
4-(2-anilino-2-oxoacetyl)-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 130408553
4-chloro-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 65432162
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
methyl 2-[4-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]pyrazol-1-yl]acetate
CID 61018368

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-4-chloro-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(4-anilinophenyl)-4-chloro-1-methylpyrrole-2-carboxamide (CID 47015100) is N-(4-anilinophenyl)-4-chloro-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-anilinophenyl)-4-chloro-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-anilinophenyl)-4-chloro-1-methylpyrrole-2-carboxamide is Cn1cc(Cl)cc1C(=O)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-4-chloro-1-methylpyrrole-2-carboxamide?
The InChIKey is AIPFERUUQUNJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-22-12-13(19)11-17(22)18(23)21-16-9-7-15(8-10-16)20-14-5-3-2-4-6-14/h2-12,20H,1H3,(H,21,23).
What are the key properties of N-(4-anilinophenyl)-4-chloro-1-methylpyrrole-2-carboxamide?
N-(4-anilinophenyl)-4-chloro-1-methylpyrrole-2-carboxamide has a molecular weight of 325.80 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-4-chloro-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 47015100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).