1-(4-chloro-2-methylphenyl)-3-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]urea

C18H20ClN5O4 — CID 4623605

IUPAC1-(4-chloro-2-methylphenyl)-3-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]urea
SMILESCOc1ccc(NC(=O)NCC(=O)NNC(=O)Nc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C18H20ClN5O4/c1-11-9-12(19)3-8-15(11)22-18(27)24-23-16(25)10-20-17(26)21-13-4-6-14(28-2)7-5-13/h3-9H,10H2,1-2H3,(H,23,25)(H2,20,21,26)(H2,22,24,27)
InChIKeyOUKWFSVHGFUUNG-UHFFFAOYSA-N
MW405.84 g/mol
LogP2.63
Rot. Bonds5

About 1-(4-chloro-2-methylphenyl)-3-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]urea

1-(4-chloro-2-methylphenyl)-3-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]urea (PubChem CID 4623605) has the molecular formula C18H20ClN5O4 and a molecular weight of 405.84 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-3-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]urea.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-3-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]urea
PubChem CID4623605
Molecular FormulaC18H20ClN5O4
Molecular Weight405.84 g/mol
Exact Mass405.12
IUPAC Name1-(4-chloro-2-methylphenyl)-3-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]urea
SMILESCOc1ccc(NC(=O)NCC(=O)NNC(=O)Nc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C18H20ClN5O4/c1-11-9-12(19)3-8-15(11)22-18(27)24-23-16(25)10-20-17(26)21-13-4-6-14(28-2)7-5-13/h3-9H,10H2,1-2H3,(H,23,25)(H2,20,21,26)(H2,22,24,27)
InChIKeyOUKWFSVHGFUUNG-UHFFFAOYSA-N
XLogP2.63
TPSA120.59 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 52.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chloro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49276925
2-[(3,4-dimethylphenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide
CID 42766024
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9028002
2-[(3-bromophenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide
CID 1055744
2-[[2-[(4-methoxy-2-methylphenyl)carbamoylamino]acetyl]amino]acetic acid
CID 62871905
6-N-(4-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100888
4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 3140681
ethyl N-[(4-chloro-2-methylphenyl)carbamoylamino]carbamate
CID 4307615
1-[4-(2-methoxyethoxy)-2-methylphenyl]-3-(4-methoxyphenyl)urea
CID 51088888
2-(4-chloro-2-methylanilino)-N-(3,5-dimethoxyphenyl)acetamide
CID 26507119
1-(4-chloro-2-methylphenyl)-3-[(4-methylphenoxy)methyl]urea
CID 108892964
N-(4-chloro-2-methylphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16548736

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-3-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]urea?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-3-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]urea (CID 4623605) is 1-(4-chloro-2-methylphenyl)-3-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]urea.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-3-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]urea?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-3-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]urea is COc1ccc(NC(=O)NCC(=O)NNC(=O)Nc2ccc(Cl)cc2C)cc1.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-3-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]urea?
The InChIKey is OUKWFSVHGFUUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O4/c1-11-9-12(19)3-8-15(11)22-18(27)24-23-16(25)10-20-17(26)21-13-4-6-14(28-2)7-5-13/h3-9H,10H2,1-2H3,(H,23,25)(H2,20,21,26)(H2,22,24,27).
What are the key properties of 1-(4-chloro-2-methylphenyl)-3-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]urea?
1-(4-chloro-2-methylphenyl)-3-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]urea has a molecular weight of 405.84 g/mol, XLogP of 2.63, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-3-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]urea is sourced from PubChem (CID 4623605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).