1-(3-chloro-2-methylphenyl)-3-(pyridin-4-ylmethyl)urea

C14H14ClN3O — CID 6470630

IUPAC1-(3-chloro-2-methylphenyl)-3-(pyridin-4-ylmethyl)urea
SMILESCc1c(Cl)cccc1NC(=O)NCc1ccncc1
InChIInChI=1S/C14H14ClN3O/c1-10-12(15)3-2-4-13(10)18-14(19)17-9-11-5-7-16-8-6-11/h2-8H,9H2,1H3,(H2,17,18,19)
InChIKeyYFMCQVNVMWBPNR-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.37
Rot. Bonds3

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

1-(3-chloro-2-methylphenyl)-3-(pyridin-4-ylmethyl)urea (PubChem CID 6470630) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-(pyridin-4-ylmethyl)urea
PubChem CID6470630
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name1-(3-chloro-2-methylphenyl)-3-(pyridin-4-ylmethyl)urea
SMILESCc1c(Cl)cccc1NC(=O)NCc1ccncc1
InChIInChI=1S/C14H14ClN3O/c1-10-12(15)3-2-4-13(10)18-14(19)17-9-11-5-7-16-8-6-11/h2-8H,9H2,1H3,(H2,17,18,19)
InChIKeyYFMCQVNVMWBPNR-UHFFFAOYSA-N
XLogP3.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3-chloro-2-methylphenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947833
1-(3-chloro-2-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032003
1-(3-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884299
1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47193368
N-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide
CID 110468468
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898298
1-(3-chloro-2-methylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896725
1-[(2-bromophenyl)methyl]-3-(3-chloro-2-methylphenyl)urea
CID 17379764
1-[2-(methoxymethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 47034851
1-(3-chloro-2-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 108891823
N'-(2,6-dichlorophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108518293

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(pyridin-4-ylmethyl)urea (CID 6470630) is 1-(3-chloro-2-methylphenyl)-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-(pyridin-4-ylmethyl)urea is Cc1c(Cl)cccc1NC(=O)NCc1ccncc1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-(pyridin-4-ylmethyl)urea?
The InChIKey is YFMCQVNVMWBPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-10-12(15)3-2-4-13(10)18-14(19)17-9-11-5-7-16-8-6-11/h2-8H,9H2,1H3,(H2,17,18,19).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-(pyridin-4-ylmethyl)urea?
1-(3-chloro-2-methylphenyl)-3-(pyridin-4-ylmethyl)urea has a molecular weight of 275.74 g/mol, XLogP of 3.37, 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-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 6470630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).