1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea

C22H22N4O2 — CID 1110848

IUPAC1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
SMILESCc1ccccc1NC(=O)Nc1cccc(NC(=O)Nc2ccccc2C)c1
InChIInChI=1S/C22H22N4O2/c1-15-8-3-5-12-19(15)25-21(27)23-17-10-7-11-18(14-17)24-22(28)26-20-13-6-4-9-16(20)2/h3-14H,1-2H3,(H2,23,25,27)(H2,24,26,28)
InChIKeyQPRZJIMXMVWCAO-UHFFFAOYSA-N
MW374.44 g/mol
LogP5.59
Rot. Bonds4

About 1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea

1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea (PubChem CID 1110848) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
PubChem CID1110848
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
SMILESCc1ccccc1NC(=O)Nc1cccc(NC(=O)Nc2ccccc2C)c1
InChIInChI=1S/C22H22N4O2/c1-15-8-3-5-12-19(15)25-21(27)23-17-10-7-11-18(14-17)24-22(28)26-20-13-6-4-9-16(20)2/h3-14H,1-2H3,(H2,23,25,27)(H2,24,26,28)
InChIKeyQPRZJIMXMVWCAO-UHFFFAOYSA-N
XLogP5.59
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 55.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(2-methylphenyl)carbamoylamino]phenyl]chloranium
CID 148876031
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
CID 19165586
1-(2-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 56610085
1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172
tris(1-(2-methylphenyl)-3-(4-propan-2-ylphenyl)urea);1-(3-methylphenyl)-3-(4-propan-2-ylphenyl)urea;1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 157479666
1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea
CID 58646099
(2S)-2-(3-acetamidoanilino)-N-(2-methylphenyl)propanamide
CID 25354903
1-(2-methylphenyl)-3-(4-nitrosophenyl)urea
CID 174923533
methyl 2-[[3-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenyl]carbamoylamino]acetate
CID 11145392
1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894214
1-(2,6-dichlorophenyl)-3-(2-methylphenyl)urea
CID 44721842

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea?
The IUPAC name of 1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea (CID 1110848) is 1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea?
The canonical SMILES for 1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea is Cc1ccccc1NC(=O)Nc1cccc(NC(=O)Nc2ccccc2C)c1.
What is the InChIKey of 1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea?
The InChIKey is QPRZJIMXMVWCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15-8-3-5-12-19(15)25-21(27)23-17-10-7-11-18(14-17)24-22(28)26-20-13-6-4-9-16(20)2/h3-14H,1-2H3,(H2,23,25,27)(H2,24,26,28).
What are the key properties of 1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea?
1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea has a molecular weight of 374.44 g/mol, XLogP of 5.59, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea is sourced from PubChem (CID 1110848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).