(4-chlorophenyl)-(3,5-dimethyl-1H-pyrrol-2-yl)methanone

C13H12ClNO — CID 122368732

IUPAC(4-chlorophenyl)-(3,5-dimethyl-1H-pyrrol-2-yl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C13H12ClNO/c1-8-7-9(2)15-12(8)13(16)10-3-5-11(14)6-4-10/h3-7,15H,1-2H3
InChIKeyKRRQLNRZNZYWKV-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.52
Rot. Bonds2

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

(4-chlorophenyl)-(3,5-dimethyl-1H-pyrrol-2-yl)methanone (PubChem CID 122368732) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is (4-chlorophenyl)-(3,5-dimethyl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(3,5-dimethyl-1H-pyrrol-2-yl)methanone
PubChem CID122368732
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name(4-chlorophenyl)-(3,5-dimethyl-1H-pyrrol-2-yl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C13H12ClNO/c1-8-7-9(2)15-12(8)13(16)10-3-5-11(14)6-4-10/h3-7,15H,1-2H3
InChIKeyKRRQLNRZNZYWKV-UHFFFAOYSA-N
XLogP3.52
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 65099409
N-[3-chloro-4-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide
CID 23286031
N-[4-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]propan-2-yl]phenyl]methanesulfonamide
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4-chloro-N-[(4,6-dimethyl-2-sulfanylidene-1H-pyridin-3-yl)methyl]benzamide
CID 672153
(4-chlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)methanone
CID 57085354
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
[4-(aminomethyl)-2,6-dimethylphenyl]-(4-chlorophenyl)methanone
CID 86104305
2-[[4-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]phenyl]carbamoylamino]acetic acid
CID 23286035
2-[3-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]-6-oxopyridazin-1-yl]-N-methylacetamide
CID 54067742
6-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]-2-prop-2-enylpyridazin-3-one
CID 19958460
3-[6-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]-3-pyridinyl]-1,1-dimethylurea
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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3,5-dimethyl-1H-pyrrol-2-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(3,5-dimethyl-1H-pyrrol-2-yl)methanone (CID 122368732) is (4-chlorophenyl)-(3,5-dimethyl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(3,5-dimethyl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(3,5-dimethyl-1H-pyrrol-2-yl)methanone is Cc1cc(C)c(C(=O)c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of (4-chlorophenyl)-(3,5-dimethyl-1H-pyrrol-2-yl)methanone?
The InChIKey is KRRQLNRZNZYWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-8-7-9(2)15-12(8)13(16)10-3-5-11(14)6-4-10/h3-7,15H,1-2H3.
What are the key properties of (4-chlorophenyl)-(3,5-dimethyl-1H-pyrrol-2-yl)methanone?
(4-chlorophenyl)-(3,5-dimethyl-1H-pyrrol-2-yl)methanone has a molecular weight of 233.70 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(3,5-dimethyl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 122368732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).