3,4-dichloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide

C20H21Cl2N3O2 — CID 5204790

IUPAC3,4-dichloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1C(=O)N1CCCC1
InChIInChI=1S/C20H21Cl2N3O2/c1-24(2)18-8-6-14(12-15(18)20(27)25-9-3-4-10-25)23-19(26)13-5-7-16(21)17(22)11-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,26)
InChIKeyOEROERHKJQMXEF-UHFFFAOYSA-N
MW406.31 g/mol
LogP4.55
Rot. Bonds4

About 3,4-dichloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide

3,4-dichloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 5204790) has the molecular formula C20H21Cl2N3O2 and a molecular weight of 406.31 g/mol. Its IUPAC name is 3,4-dichloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID5204790
Molecular FormulaC20H21Cl2N3O2
Molecular Weight406.31 g/mol
Exact Mass405.10
IUPAC Name3,4-dichloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1C(=O)N1CCCC1
InChIInChI=1S/C20H21Cl2N3O2/c1-24(2)18-8-6-14(12-15(18)20(27)25-9-3-4-10-25)23-19(26)13-5-7-16(21)17(22)11-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,26)
InChIKeyOEROERHKJQMXEF-UHFFFAOYSA-N
XLogP4.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 42747317
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-2-carboxamide
CID 3547504
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 3951252
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-4-phenylbenzamide
CID 3877371
N-(3,4-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044373
1-(3-chloro-4-fluorophenyl)-3-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]urea
CID 42747797
2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]propanamide
CID 4666114
1-(3-chlorophenyl)-3-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 42659108
1-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-3-(4-methylphenyl)urea
CID 4561226
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-methylpropanamide
CID 42747272
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-1-carboxamide
CID 4028194
3,4-dichloro-N-[3-[2-(diethylamino)ethylcarbamoyl]-4-(dimethylamino)phenyl]benzamide
CID 42747665

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide (CID 5204790) is 3,4-dichloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide is CN(C)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1C(=O)N1CCCC1.
What is the InChIKey of 3,4-dichloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is OEROERHKJQMXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O2/c1-24(2)18-8-6-14(12-15(18)20(27)25-9-3-4-10-25)23-19(26)13-5-7-16(21)17(22)11-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,26).
What are the key properties of 3,4-dichloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
3,4-dichloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 406.31 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 5204790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).