1-(5-chloro-2-methylphenyl)-3-(3-pyridin-4-yloxyanilino)urea

C19H17ClN4O2 — CID 11314668

IUPAC1-(5-chloro-2-methylphenyl)-3-(3-pyridin-4-yloxyanilino)urea
SMILESCc1ccc(Cl)cc1NC(=O)NNc1cccc(Oc2ccncc2)c1
InChIInChI=1S/C19H17ClN4O2/c1-13-5-6-14(20)11-18(13)22-19(25)24-23-15-3-2-4-17(12-15)26-16-7-9-21-10-8-16/h2-12,23H,1H3,(H2,22,24,25)
InChIKeyOOAOOUUHZCYDNY-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.98
Rot. Bonds5

About 1-(5-chloro-2-methylphenyl)-3-(3-pyridin-4-yloxyanilino)urea

1-(5-chloro-2-methylphenyl)-3-(3-pyridin-4-yloxyanilino)urea (PubChem CID 11314668) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3-(3-pyridin-4-yloxyanilino)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3-(3-pyridin-4-yloxyanilino)urea
PubChem CID11314668
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name1-(5-chloro-2-methylphenyl)-3-(3-pyridin-4-yloxyanilino)urea
SMILESCc1ccc(Cl)cc1NC(=O)NNc1cccc(Oc2ccncc2)c1
InChIInChI=1S/C19H17ClN4O2/c1-13-5-6-14(20)11-18(13)22-19(25)24-23-15-3-2-4-17(12-15)26-16-7-9-21-10-8-16/h2-12,23H,1H3,(H2,22,24,25)
InChIKeyOOAOOUUHZCYDNY-UHFFFAOYSA-N
XLogP4.98
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethylphenyl)-3-(3-pyridin-4-yloxyanilino)urea
CID 11428013
1-(4-bromophenyl)-3-(3-pyridin-4-yloxyanilino)urea
CID 11177011
5-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
CID 11199895
2-(3-acetamidophenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 964606
1-(2,4-dichlorophenyl)-3-[(3-pyridin-4-yloxyphenyl)methyl]urea
CID 10045778
2-amino-3-methyl-N-(3-pyridin-4-yloxyphenyl)pentanamide
CID 119886968
4-[4-[2-[(5-chloro-2-methoxyphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11224505
N'-[3-[difluoro(phosphanyl)methyl]-4-methylphenyl]-N-(3-pyridin-4-yloxyphenyl)oxamide;ethane
CID 142944409
4-[3-[2-[(3-acetylphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11327580
4-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
CID 11451854
4-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157043679
1-(3-chlorophenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 10020988

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(3-pyridin-4-yloxyanilino)urea?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(3-pyridin-4-yloxyanilino)urea (CID 11314668) is 1-(5-chloro-2-methylphenyl)-3-(3-pyridin-4-yloxyanilino)urea.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-(3-pyridin-4-yloxyanilino)urea?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-(3-pyridin-4-yloxyanilino)urea is Cc1ccc(Cl)cc1NC(=O)NNc1cccc(Oc2ccncc2)c1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-(3-pyridin-4-yloxyanilino)urea?
The InChIKey is OOAOOUUHZCYDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-13-5-6-14(20)11-18(13)22-19(25)24-23-15-3-2-4-17(12-15)26-16-7-9-21-10-8-16/h2-12,23H,1H3,(H2,22,24,25).
What are the key properties of 1-(5-chloro-2-methylphenyl)-3-(3-pyridin-4-yloxyanilino)urea?
1-(5-chloro-2-methylphenyl)-3-(3-pyridin-4-yloxyanilino)urea has a molecular weight of 368.82 g/mol, XLogP of 4.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-3-(3-pyridin-4-yloxyanilino)urea is sourced from PubChem (CID 11314668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).