(4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone

C18H16N2O — CID 3042143

IUPAC(4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone
SMILESCc1[nH]c(-c2ccccc2)c(N)c1C(=O)c1ccccc1
InChIInChI=1S/C18H16N2O/c1-12-15(18(21)14-10-6-3-7-11-14)16(19)17(20-12)13-8-4-2-5-9-13/h2-11,20H,19H2,1H3
InChIKeyKYGFWQIOYBDYBN-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.80
Rot. Bonds3

About (4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone

(4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone (PubChem CID 3042143) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is (4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone
PubChem CID3042143
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name(4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone
SMILESCc1[nH]c(-c2ccccc2)c(N)c1C(=O)c1ccccc1
InChIInChI=1S/C18H16N2O/c1-12-15(18(21)14-10-6-3-7-11-14)16(19)17(20-12)13-8-4-2-5-9-13/h2-11,20H,19H2,1H3
InChIKeyKYGFWQIOYBDYBN-UHFFFAOYSA-N
XLogP3.80
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Phenyl-1H-indol-3-yl)ethanone
CID 613364
2,5-Diphenyl-1H-pyrrole-3-carbaldehyde
CID 619021
Isoprazone
CID 71737
Ethanone, 1-(2,4-dimethyl-5-phenyl-1H-pyrrol-3-yl)-
CID 56251
1-[5-(2-Aminophenyl)-2-methyl-1H-pyrrol-3-yl]ethan-1-one
CID 12488974
1-[2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-3-pyridinyl]ethanone
CID 90644880
5-{2-[(2-fluorocyclohexyl)amino]phenyl}-2-methyl-1H-pyrrole-3-carboxamide
CID 86299084
2-methyl-5-[2-(phenylamino)phenyl]-1H-pyrrole-3-carboxamide
CID 86299086
1H-Pyrrolo(3,4-d)pyrimidine-2,4(3H,6H)-dione, 3,7-diphenyl-5-methyl-
CID 100292
Ethanone, 1-(2,4,5-trimethyl-7-phenyl-6H-pyrrolo(3,4-b)pyridin-3-yl)-
CID 5358829
2-methyl-5-phenyl-1H-pyrrole-3-carboxamide
CID 12478742
1-(3-aminophenyl)-3-methyl-5,6,7,8-tetrahydro-2H-cyclohepta[c]pyrrol-4-one
CID 162394695

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone?
The IUPAC name of (4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone (CID 3042143) is (4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone.
What is the SMILES notation for (4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone?
The canonical SMILES for (4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone is Cc1[nH]c(-c2ccccc2)c(N)c1C(=O)c1ccccc1.
What is the InChIKey of (4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone?
The InChIKey is KYGFWQIOYBDYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-12-15(18(21)14-10-6-3-7-11-14)16(19)17(20-12)13-8-4-2-5-9-13/h2-11,20H,19H2,1H3.
What are the key properties of (4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone?
(4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone has a molecular weight of 276.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone is sourced from PubChem (CID 3042143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).