1-(3-chloro-2-methylphenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea

C19H20ClN3O2 — CID 2211223

IUPAC1-(3-chloro-2-methylphenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESCc1c(Cl)cccc1NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C19H20ClN3O2/c1-13-16(20)5-4-6-17(13)22-19(25)21-15-9-7-14(8-10-15)18(24)23-11-2-3-12-23/h4-10H,2-3,11-12H2,1H3,(H2,21,22,25)
InChIKeyWQTUDROCDQPRAX-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.53
Rot. Bonds3

About 1-(3-chloro-2-methylphenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea

1-(3-chloro-2-methylphenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea (PubChem CID 2211223) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
PubChem CID2211223
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name1-(3-chloro-2-methylphenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESCc1c(Cl)cccc1NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C19H20ClN3O2/c1-13-16(20)5-4-6-17(13)22-19(25)21-15-9-7-14(8-10-15)18(24)23-11-2-3-12-23/h4-10H,2-3,11-12H2,1H3,(H2,21,22,25)
InChIKeyWQTUDROCDQPRAX-UHFFFAOYSA-N
XLogP4.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea (CID 2211223) is 1-(3-chloro-2-methylphenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea is Cc1c(Cl)cccc1NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea?
The InChIKey is WQTUDROCDQPRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-13-16(20)5-4-6-17(13)22-19(25)21-15-9-7-14(8-10-15)18(24)23-11-2-3-12-23/h4-10H,2-3,11-12H2,1H3,(H2,21,22,25).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea?
1-(3-chloro-2-methylphenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea has a molecular weight of 357.84 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 2211223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).