(2-chlorophenyl)-[4-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrrol-3-yl]methanone

C16H19ClN2O — CID 70433577

IUPAC(2-chlorophenyl)-[4-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrrol-3-yl]methanone
SMILESCc1[nH]c(C)c(C(=O)c2ccccc2Cl)c1CN(C)C
InChIInChI=1S/C16H19ClN2O/c1-10-13(9-19(3)4)15(11(2)18-10)16(20)12-7-5-6-8-14(12)17/h5-8,18H,9H2,1-4H3
InChIKeyXZPFZYRTEVWBJC-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.58
Rot. Bonds4

About (2-chlorophenyl)-[4-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrrol-3-yl]methanone

(2-chlorophenyl)-[4-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrrol-3-yl]methanone (PubChem CID 70433577) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrrol-3-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrrol-3-yl]methanone
PubChem CID70433577
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name(2-chlorophenyl)-[4-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrrol-3-yl]methanone
SMILESCc1[nH]c(C)c(C(=O)c2ccccc2Cl)c1CN(C)C
InChIInChI=1S/C16H19ClN2O/c1-10-13(9-19(3)4)15(11(2)18-10)16(20)12-7-5-6-8-14(12)17/h5-8,18H,9H2,1-4H3
InChIKeyXZPFZYRTEVWBJC-UHFFFAOYSA-N
XLogP3.58
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159787
[4-(2-chlorobenzoyl)-3,5-dimethylphenyl]-(2-chlorophenyl)methanone
CID 25138990
3-(2-chlorobenzoyl)-2-methylazulene-1-carboxylic acid
CID 139771641
(4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone
CID 86183747
(2,4-dichlorophenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 43339192
(2-chlorophenyl)-(5-methyl-2,4-diphenylfuran-3-yl)methanone
CID 134835220
3-(2-chlorobenzoyl)-4-hydroxy-1,6-dimethylpyridin-2-one
CID 137227903
(2-amino-4,5-dimethylthiophen-3-yl)-(2-chlorophenyl)methanone
CID 859637
(2-chloro-4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 43339219
ethyl 4-[(2-chloro-N-methylanilino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 163198688
N-(2-chlorophenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 170721683
1-[2-(2-chlorobenzoyl)-6-methylphenyl]prop-2-en-1-one
CID 70619819

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrrol-3-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrrol-3-yl]methanone (CID 70433577) is (2-chlorophenyl)-[4-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrrol-3-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrrol-3-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrrol-3-yl]methanone is Cc1[nH]c(C)c(C(=O)c2ccccc2Cl)c1CN(C)C.
What is the InChIKey of (2-chlorophenyl)-[4-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrrol-3-yl]methanone?
The InChIKey is XZPFZYRTEVWBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-10-13(9-19(3)4)15(11(2)18-10)16(20)12-7-5-6-8-14(12)17/h5-8,18H,9H2,1-4H3.
What are the key properties of (2-chlorophenyl)-[4-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrrol-3-yl]methanone?
(2-chlorophenyl)-[4-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrrol-3-yl]methanone has a molecular weight of 290.79 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrrol-3-yl]methanone is sourced from PubChem (CID 70433577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).