1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea

C19H22ClN3O2 — CID 108992500

IUPAC1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
SMILESCOc1cc(Cl)c(C)cc1NC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H22ClN3O2/c1-13-11-17(18(25-2)12-16(13)20)22-19(24)21-14-5-7-15(8-6-14)23-9-3-4-10-23/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,21,22,24)
InChIKeyXGCWUSNJMBOXIH-UHFFFAOYSA-N
MW359.86 g/mol
LogP4.90
Rot. Bonds4

About 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea

1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea (PubChem CID 108992500) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
PubChem CID108992500
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
SMILESCOc1cc(Cl)c(C)cc1NC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H22ClN3O2/c1-13-11-17(18(25-2)12-16(13)20)22-19(24)21-14-5-7-15(8-6-14)23-9-3-4-10-23/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,21,22,24)
InChIKeyXGCWUSNJMBOXIH-UHFFFAOYSA-N
XLogP4.90
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 54.90
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-(4-chloro-2-methoxy-5-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041770
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-ethylphenyl)urea
CID 108991505
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-chloro-2-methylphenyl)urea
CID 108991794
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,4,5-trihydroxyphenyl)urea
CID 108871952
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110651208
1-(3-chloro-4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108991943
1-(2-methoxy-5-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69447816
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108992307
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 2656218
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25341128
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362870
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide
CID 108512659

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea?
The IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea (CID 108992500) is 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea.
What is the SMILES notation for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea?
The canonical SMILES for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea is COc1cc(Cl)c(C)cc1NC(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea?
The InChIKey is XGCWUSNJMBOXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-13-11-17(18(25-2)12-16(13)20)22-19(24)21-14-5-7-15(8-6-14)23-9-3-4-10-23/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea?
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea has a molecular weight of 359.86 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea is sourced from PubChem (CID 108992500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).