(4-chloro-3-pyrrolidin-1-ylphenyl)-(4-methylphenyl)methanone

C18H18ClNO — CID 168515724

IUPAC(4-chloro-3-pyrrolidin-1-ylphenyl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Cl)c(N3CCCC3)c2)cc1
InChIInChI=1S/C18H18ClNO/c1-13-4-6-14(7-5-13)18(21)15-8-9-16(19)17(12-15)20-10-2-3-11-20/h4-9,12H,2-3,10-11H2,1H3
InChIKeyNLHUXEVUKLFYSH-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.48
Rot. Bonds3

About (4-chloro-3-pyrrolidin-1-ylphenyl)-(4-methylphenyl)methanone

(4-chloro-3-pyrrolidin-1-ylphenyl)-(4-methylphenyl)methanone (PubChem CID 168515724) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is (4-chloro-3-pyrrolidin-1-ylphenyl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-3-pyrrolidin-1-ylphenyl)-(4-methylphenyl)methanone
PubChem CID168515724
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name(4-chloro-3-pyrrolidin-1-ylphenyl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Cl)c(N3CCCC3)c2)cc1
InChIInChI=1S/C18H18ClNO/c1-13-4-6-14(7-5-13)18(21)15-8-9-16(19)17(12-15)20-10-2-3-11-20/h4-9,12H,2-3,10-11H2,1H3
InChIKeyNLHUXEVUKLFYSH-UHFFFAOYSA-N
XLogP4.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-pyrrolidin-1-ylbenzoic acid
CID 7148434
4-chloro-3-piperidin-1-ylbenzoic acid
CID 7148438
4-(azocan-1-yl)-3-chlorobenzoic acid
CID 63088316
3-chloro-4-piperidin-1-ylbenzoic acid
CID 18956231
[4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone
CID 5143805
3-(azepan-1-yl)-4-methylbenzoic acid
CID 79686827
(4-chlorophenyl)-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone
CID 2898402
2-chloro-5-(4-pyrrolidin-1-ylbenzoyl)benzenesulfonamide
CID 58107415
(4-chloro-3-nitrophenyl)-(4-methylphenyl)methanone
CID 838862
(3-amino-4-pyrrolidin-1-ylphenyl)-(3,4-dimethylphenyl)methanone
CID 39403757
1-(2-chloro-5-pyrrolidin-1-ylphenyl)pyrrolidine
CID 23660792
[2,5-dichloro-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 3101530

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-pyrrolidin-1-ylphenyl)-(4-methylphenyl)methanone?
The IUPAC name of (4-chloro-3-pyrrolidin-1-ylphenyl)-(4-methylphenyl)methanone (CID 168515724) is (4-chloro-3-pyrrolidin-1-ylphenyl)-(4-methylphenyl)methanone.
What is the SMILES notation for (4-chloro-3-pyrrolidin-1-ylphenyl)-(4-methylphenyl)methanone?
The canonical SMILES for (4-chloro-3-pyrrolidin-1-ylphenyl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(Cl)c(N3CCCC3)c2)cc1.
What is the InChIKey of (4-chloro-3-pyrrolidin-1-ylphenyl)-(4-methylphenyl)methanone?
The InChIKey is NLHUXEVUKLFYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-13-4-6-14(7-5-13)18(21)15-8-9-16(19)17(12-15)20-10-2-3-11-20/h4-9,12H,2-3,10-11H2,1H3.
What are the key properties of (4-chloro-3-pyrrolidin-1-ylphenyl)-(4-methylphenyl)methanone?
(4-chloro-3-pyrrolidin-1-ylphenyl)-(4-methylphenyl)methanone has a molecular weight of 299.80 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-pyrrolidin-1-ylphenyl)-(4-methylphenyl)methanone is sourced from PubChem (CID 168515724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).