1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea

C19H21ClN4O2 — CID 72852512

IUPAC1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
SMILESO=C(NCCc1ccccn1)Nc1cc(C(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C19H21ClN4O2/c20-16-7-6-14(18(25)24-11-3-4-12-24)13-17(16)23-19(26)22-10-8-15-5-1-2-9-21-15/h1-2,5-7,9,13H,3-4,8,10-12H2,(H2,22,23,26)
InChIKeyDRBCHEXBHGYNGS-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.34
Rot. Bonds5

About 1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea

1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea (PubChem CID 72852512) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
PubChem CID72852512
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
SMILESO=C(NCCc1ccccn1)Nc1cc(C(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C19H21ClN4O2/c20-16-7-6-14(18(25)24-11-3-4-12-24)13-17(16)23-19(26)22-10-8-15-5-1-2-9-21-15/h1-2,5-7,9,13H,3-4,8,10-12H2,(H2,22,23,26)
InChIKeyDRBCHEXBHGYNGS-UHFFFAOYSA-N
XLogP3.34
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea (CID 72852512) is 1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea is O=C(NCCc1ccccn1)Nc1cc(C(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of 1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea?
The InChIKey is DRBCHEXBHGYNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c20-16-7-6-14(18(25)24-11-3-4-12-24)13-17(16)23-19(26)22-10-8-15-5-1-2-9-21-15/h1-2,5-7,9,13H,3-4,8,10-12H2,(H2,22,23,26).
What are the key properties of 1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea?
1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea has a molecular weight of 372.86 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 72852512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).