1-[1-(2,4-dichlorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]urea

C17H17Cl2N3O2 — CID 46653640

IUPAC1-[1-(2,4-dichlorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]urea
SMILESCc1ccc(C(=O)NNC(=O)NC(C)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2N3O2/c1-10-3-5-12(6-4-10)16(23)21-22-17(24)20-11(2)14-8-7-13(18)9-15(14)19/h3-9,11H,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyVHLMMGLBHJHXKR-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.01
Rot. Bonds3

About 1-[1-(2,4-dichlorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]urea

1-[1-(2,4-dichlorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]urea (PubChem CID 46653640) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]urea.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]urea
PubChem CID46653640
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name1-[1-(2,4-dichlorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]urea
SMILESCc1ccc(C(=O)NNC(=O)NC(C)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2N3O2/c1-10-3-5-12(6-4-10)16(23)21-22-17(24)20-11(2)14-8-7-13(18)9-15(14)19/h3-9,11H,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyVHLMMGLBHJHXKR-UHFFFAOYSA-N
XLogP4.01
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 43101350
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 4-methylbenzoate
CID 2506559
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide
CID 9441444
N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 24609586
2-chloro-N-[1-(2,4-dichlorophenyl)ethylcarbamoyl]acetamide
CID 43328744
1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea
CID 29023001
2,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 43235797
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
2-[1-(2,4-dichlorophenyl)ethylcarbamoylamino]-3-hydroxybutanoic acid
CID 61184551
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]furan-3-carboxamide
CID 106852526
4-[(carbamoylamino)methyl]-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 78772937
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]urea?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]urea (CID 46653640) is 1-[1-(2,4-dichlorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]urea.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]urea?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]urea is Cc1ccc(C(=O)NNC(=O)NC(C)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]urea?
The InChIKey is VHLMMGLBHJHXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-10-3-5-12(6-4-10)16(23)21-22-17(24)20-11(2)14-8-7-13(18)9-15(14)19/h3-9,11H,1-2H3,(H,21,23)(H2,20,22,24).
What are the key properties of 1-[1-(2,4-dichlorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]urea?
1-[1-(2,4-dichlorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]urea has a molecular weight of 366.25 g/mol, XLogP of 4.01, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]urea is sourced from PubChem (CID 46653640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).