1-(3-chlorophenyl)-3-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]urea

C20H23ClN4O2 — CID 42659108

IUPAC1-(3-chlorophenyl)-3-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESCN(C)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1C(=O)N1CCCC1
InChIInChI=1S/C20H23ClN4O2/c1-24(2)18-9-8-16(13-17(18)19(26)25-10-3-4-11-25)23-20(27)22-15-7-5-6-14(21)12-15/h5-9,12-13H,3-4,10-11H2,1-2H3,(H2,22,23,27)
InChIKeyXAMZCMIEILSXTD-UHFFFAOYSA-N
MW386.88 g/mol
LogP4.29
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]urea

1-(3-chlorophenyl)-3-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]urea (PubChem CID 42659108) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]urea
PubChem CID42659108
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name1-(3-chlorophenyl)-3-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESCN(C)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1C(=O)N1CCCC1
InChIInChI=1S/C20H23ClN4O2/c1-24(2)18-9-8-16(13-17(18)19(26)25-10-3-4-11-25)23-20(27)22-15-7-5-6-14(21)12-15/h5-9,12-13H,3-4,10-11H2,1-2H3,(H2,22,23,27)
InChIKeyXAMZCMIEILSXTD-UHFFFAOYSA-N
XLogP4.29
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.29
H-Bond Donors ≤ 52
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
1-(3-chloro-4-fluorophenyl)-3-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]urea
CID 42747797
1-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-3-(4-methylphenyl)urea
CID 4561226
1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2,3-dimethylphenyl)urea
CID 4310534
1-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-3-(2-methylphenyl)urea
CID 4310532
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-methylpropanamide
CID 42747272
2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]propanamide
CID 4666114
3,4-dichloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 5204790
2-chloro-N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 42751255
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-1-carboxamide
CID 4028194
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]butanamide
CID 42747271
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]naphthalene-2-carboxamide
CID 3547504

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]urea (CID 42659108) is 1-(3-chlorophenyl)-3-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]urea is CN(C)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1C(=O)N1CCCC1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]urea?
The InChIKey is XAMZCMIEILSXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-24(2)18-9-8-16(13-17(18)19(26)25-10-3-4-11-25)23-20(27)22-15-7-5-6-14(21)12-15/h5-9,12-13H,3-4,10-11H2,1-2H3,(H2,22,23,27).
What are the key properties of 1-(3-chlorophenyl)-3-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]urea?
1-(3-chlorophenyl)-3-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]urea has a molecular weight of 386.88 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 42659108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).