1-[4-[[(4-chloro-2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-cyclopropylurea

C19H19ClN4O4 — CID 55678414

IUPAC1-[4-[[(4-chloro-2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-cyclopropylurea
SMILESCOc1cc(Cl)ccc1C(=O)NNC(=O)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C19H19ClN4O4/c1-28-16-10-12(20)4-9-15(16)18(26)24-23-17(25)11-2-5-13(6-3-11)21-19(27)22-14-7-8-14/h2-6,9-10,14H,7-8H2,1H3,(H,23,25)(H,24,26)(H2,21,22,27)
InChIKeyWTBURYNEBVSKJH-UHFFFAOYSA-N
MW402.84 g/mol
LogP2.71
Rot. Bonds5

About 1-[4-[[(4-chloro-2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-cyclopropylurea

1-[4-[[(4-chloro-2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-cyclopropylurea (PubChem CID 55678414) has the molecular formula C19H19ClN4O4 and a molecular weight of 402.84 g/mol. Its IUPAC name is 1-[4-[[(4-chloro-2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[4-[[(4-chloro-2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-cyclopropylurea
PubChem CID55678414
Molecular FormulaC19H19ClN4O4
Molecular Weight402.84 g/mol
Exact Mass402.11
IUPAC Name1-[4-[[(4-chloro-2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-cyclopropylurea
SMILESCOc1cc(Cl)ccc1C(=O)NNC(=O)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C19H19ClN4O4/c1-28-16-10-12(20)4-9-15(16)18(26)24-23-17(25)11-2-5-13(6-3-11)21-19(27)22-14-7-8-14/h2-6,9-10,14H,7-8H2,1H3,(H,23,25)(H,24,26)(H2,21,22,27)
InChIKeyWTBURYNEBVSKJH-UHFFFAOYSA-N
XLogP2.71
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-benzoyl-4-chloro-2-methoxybenzohydrazide
CID 34594179
4-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-cyclopentylbenzamide
CID 17180685
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
4-[(5-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide
CID 17180530
4-chloro-N-(4-iodophenyl)-2-methoxybenzamide
CID 47421842
methyl 4-[(4-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylate
CID 115616953
4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043380
1-(4-chloro-3-methoxyphenyl)-3-(thian-4-yl)urea
CID 99841207
4-chloro-N-[4-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 64794839
1-(4-chlorophenyl)-3-[(3-iodo-4-methoxybenzoyl)amino]urea
CID 1011551
4-chloro-N'-[2-(2,4-dichlorophenyl)acetyl]-2-methoxybenzohydrazide
CID 31956715

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(4-chloro-2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-cyclopropylurea?
The IUPAC name of 1-[4-[[(4-chloro-2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-cyclopropylurea (CID 55678414) is 1-[4-[[(4-chloro-2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[4-[[(4-chloro-2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-cyclopropylurea?
The canonical SMILES for 1-[4-[[(4-chloro-2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-cyclopropylurea is COc1cc(Cl)ccc1C(=O)NNC(=O)c1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of 1-[4-[[(4-chloro-2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-cyclopropylurea?
The InChIKey is WTBURYNEBVSKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O4/c1-28-16-10-12(20)4-9-15(16)18(26)24-23-17(25)11-2-5-13(6-3-11)21-19(27)22-14-7-8-14/h2-6,9-10,14H,7-8H2,1H3,(H,23,25)(H,24,26)(H2,21,22,27).
What are the key properties of 1-[4-[[(4-chloro-2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-cyclopropylurea?
1-[4-[[(4-chloro-2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-cyclopropylurea has a molecular weight of 402.84 g/mol, XLogP of 2.71, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(4-chloro-2-methoxybenzoyl)amino]carbamoyl]phenyl]-3-cyclopropylurea is sourced from PubChem (CID 55678414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).