1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea;hydrochloride

C17H18Cl3N3O — CID 67238951

IUPAC1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea;hydrochloride
SMILESCl.O=C(Nc1ccc(C2CCNC2)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2N3O.ClH/c18-15-6-5-14(9-16(15)19)22-17(23)21-13-3-1-11(2-4-13)12-7-8-20-10-12;/h1-6,9,12,20H,7-8,10H2,(H2,21,22,23);1H
InChIKeyGSMRYEYRTILKNX-UHFFFAOYSA-N
MW386.71 g/mol
LogP5.14
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea;hydrochloride

1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea;hydrochloride (PubChem CID 67238951) has the molecular formula C17H18Cl3N3O and a molecular weight of 386.71 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea;hydrochloride
PubChem CID67238951
Molecular FormulaC17H18Cl3N3O
Molecular Weight386.71 g/mol
Exact Mass385.05
IUPAC Name1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea;hydrochloride
SMILESCl.O=C(Nc1ccc(C2CCNC2)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2N3O.ClH/c18-15-6-5-14(9-16(15)19)22-17(23)21-13-3-1-11(2-4-13)12-7-8-20-10-12;/h1-6,9,12,20H,7-8,10H2,(H2,21,22,23);1H
InChIKeyGSMRYEYRTILKNX-UHFFFAOYSA-N
XLogP5.14
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.71
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea
CID 124566335
2-(3,4-dichlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
CID 67243293
1-(azepan-4-yl)-3-(3,4-dichlorophenyl)urea
CID 107172624
2,4-dichloro-N-[4-[(3R)-pyrrolidin-3-yl]phenyl]benzamide
CID 124566217
1-(3,4-dichlorophenyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 80563195
4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]phenyl]benzamide
CID 124561571
1-(3,4-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea
CID 63622133
1-(4-butyl-2-methylphenyl)-3-(4-pyrrolidin-3-ylphenyl)urea;1-(3,4-dichlorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea;1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea
CID 160782961
1-(3,4-dichlorophenyl)-3-[4-methyl-6-(piperidin-3-ylamino)pyrimidin-2-yl]urea
CID 122507220
1-(3-chloro-4-methylphenyl)-3-piperidin-3-ylurea
CID 63321445
N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119670897
1-phenyl-3-[3-[(3R)-piperidin-3-yl]phenyl]urea
CID 124564227

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea;hydrochloride?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea;hydrochloride (CID 67238951) is 1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea;hydrochloride.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea;hydrochloride?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea;hydrochloride is Cl.O=C(Nc1ccc(C2CCNC2)cc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea;hydrochloride?
The InChIKey is GSMRYEYRTILKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O.ClH/c18-15-6-5-14(9-16(15)19)22-17(23)21-13-3-1-11(2-4-13)12-7-8-20-10-12;/h1-6,9,12,20H,7-8,10H2,(H2,21,22,23);1H.
What are the key properties of 1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea;hydrochloride?
1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea;hydrochloride has a molecular weight of 386.71 g/mol, XLogP of 5.14, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea;hydrochloride is sourced from PubChem (CID 67238951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).