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

C18H17ClN2O — CID 3042142

IUPAC(4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone;hydrochloride
SMILESCc1[nH]c(-c2ccccc2)c(N)c1C(=O)c1ccccc1.Cl
InChIInChI=1S/C18H16N2O.ClH/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;1H
InChIKeyPKXNZRBSMDMMGF-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.23
Rot. Bonds3

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

(4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone;hydrochloride (PubChem CID 3042142) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is (4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone;hydrochloride
PubChem CID3042142
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name(4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone;hydrochloride
SMILESCc1[nH]c(-c2ccccc2)c(N)c1C(=O)c1ccccc1.Cl
InChIInChI=1S/C18H16N2O.ClH/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;1H
InChIKeyPKXNZRBSMDMMGF-UHFFFAOYSA-N
XLogP4.23
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone;hydrochloride?
The IUPAC name of (4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone;hydrochloride (CID 3042142) is (4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone;hydrochloride.
What is the SMILES notation for (4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone;hydrochloride?
The canonical SMILES for (4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone;hydrochloride is Cc1[nH]c(-c2ccccc2)c(N)c1C(=O)c1ccccc1.Cl.
What is the InChIKey of (4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone;hydrochloride?
The InChIKey is PKXNZRBSMDMMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O.ClH/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;1H.
What are the key properties of (4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone;hydrochloride?
(4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone;hydrochloride has a molecular weight of 312.80 g/mol, XLogP of 4.23, 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;hydrochloride is sourced from PubChem (CID 3042142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).