(4-amino-3,5-dichlorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone

C13H16Cl2N2O — CID 82832883

IUPAC(4-amino-3,5-dichlorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1C
InChIInChI=1S/C13H16Cl2N2O/c1-7-5-17(6-8(7)2)13(18)9-3-10(14)12(16)11(15)4-9/h3-4,7-8H,5-6,16H2,1-2H3
InChIKeyDNURGFSVAULQGS-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.30
Rot. Bonds1

About (4-amino-3,5-dichlorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone

(4-amino-3,5-dichlorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone (PubChem CID 82832883) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is (4-amino-3,5-dichlorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,5-dichlorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
PubChem CID82832883
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name(4-amino-3,5-dichlorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1C
InChIInChI=1S/C13H16Cl2N2O/c1-7-5-17(6-8(7)2)13(18)9-3-10(14)12(16)11(15)4-9/h3-4,7-8H,5-6,16H2,1-2H3
InChIKeyDNURGFSVAULQGS-UHFFFAOYSA-N
XLogP3.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Declopramide
CID 70177
4-amino-3,5-dichloro-N-cyclopropylbenzamide
CID 43397
(4-Amino-3,5-dichlorophenyl)(1,3,3-trimethyl-6-aza-bicyclo[3.2.1]octan-6-yl)methanone
CID 16721119
4-amino-3,5-dichloro-N-cyclopentyl-N-cyclopropylbenzamide
CID 44420153
4-amino-3,5-dichloro-N-methylbenzamide
CID 45043
N-adamantan-1-yl-4-amino-3,5-dichloro-N-methyl-benzamide
CID 44420164
(4-Amino-3,5-dichlorophenyl)-(2-azatricyclo[3.3.1.13,7]decan-2-yl)methanone
CID 44420166
(4-Amino-3,5-dichlorophenyl)(3-benzyl-3,6-diaza-bicyclo[3.2.1]octan-6-yl)methanone
CID 44420180
(4-Amino-3,5-dichlorophenyl)(5-benzyl-1,5-diazocan-1-yl)methanone
CID 44420181
4-amino-3,5-dichloro-N-cyclohexyl-N-cyclopropylbenzamide
CID 44420186
4-amino-N-((1s,4s)-4-(benzylcarbamoyl)cyclohexyl)-3,5-dichloro-N-cyclopropylbenzamide
CID 44420196
N-((1s,4s)-4-((cyclohexylmethyl)carbamoyl)cyclohexyl)-4-amino-3,5-dichloro-N-cyclopropylbenzamide
CID 44420202

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-dichlorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-3,5-dichlorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone (CID 82832883) is (4-amino-3,5-dichlorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3,5-dichlorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-3,5-dichlorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone is CC1CN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1C.
What is the InChIKey of (4-amino-3,5-dichlorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is DNURGFSVAULQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-7-5-17(6-8(7)2)13(18)9-3-10(14)12(16)11(15)4-9/h3-4,7-8H,5-6,16H2,1-2H3.
What are the key properties of (4-amino-3,5-dichlorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
(4-amino-3,5-dichlorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 287.19 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,5-dichlorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 82832883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).