4-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid

C18H21Cl2NO3 — CID 120674061

IUPAC4-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCCC2c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H21Cl2NO3/c19-14-8-7-13(10-15(14)20)16-2-1-9-21(16)17(22)11-3-5-12(6-4-11)18(23)24/h7-8,10-12,16H,1-6,9H2,(H,23,24)
InChIKeyDZUYDCVJQZSKBM-UHFFFAOYSA-N
MW370.28 g/mol
LogP4.55
Rot. Bonds3

About 4-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid

4-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 120674061) has the molecular formula C18H21Cl2NO3 and a molecular weight of 370.28 g/mol. Its IUPAC name is 4-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID120674061
Molecular FormulaC18H21Cl2NO3
Molecular Weight370.28 g/mol
Exact Mass369.09
IUPAC Name4-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCCC2c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H21Cl2NO3/c19-14-8-7-13(10-15(14)20)16-2-1-9-21(16)17(22)11-3-5-12(6-4-11)18(23)24/h7-8,10-12,16H,1-6,9H2,(H,23,24)
InChIKeyDZUYDCVJQZSKBM-UHFFFAOYSA-N
XLogP4.55
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62230261
4-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674060
4-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 60948472
(E)-4-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid
CID 60948473
2-amino-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119288449
tert-butyl 2-(3,4-dichlorophenyl)pyrrolidine-1-carboxylate
CID 65142557
1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(methylamino)propan-1-one
CID 62638779
1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(propan-2-ylamino)ethanone
CID 60963178
2-(cyclopropylmethylamino)-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone
CID 60963537
2-(cyclopropylmethylamino)-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119721721
3-amino-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119949824
1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-(ethylamino)propan-1-one
CID 62834949

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid (CID 120674061) is 4-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)N2CCCC2c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is DZUYDCVJQZSKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2NO3/c19-14-8-7-13(10-15(14)20)16-2-1-9-21(16)17(22)11-3-5-12(6-4-11)18(23)24/h7-8,10-12,16H,1-6,9H2,(H,23,24).
What are the key properties of 4-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid?
4-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 370.28 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120674061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).