1-(2-chloro-5-methoxyphenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea

C17H12ClN3O4 — CID 23373161

IUPAC1-(2-chloro-5-methoxyphenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea
SMILESCOc1ccc(Cl)c(NC(=O)NN=c2c(=O)c3ccccc3c2=O)c1
InChIInChI=1S/C17H12ClN3O4/c1-25-9-6-7-12(18)13(8-9)19-17(24)21-20-14-15(22)10-4-2-3-5-11(10)16(14)23/h2-8H,1H3,(H2,19,21,24)
InChIKeyREEYWQUWXGVFLH-UHFFFAOYSA-N
MW357.75 g/mol
LogP1.74
Rot. Bonds3

About 1-(2-chloro-5-methoxyphenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea

1-(2-chloro-5-methoxyphenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea (PubChem CID 23373161) has the molecular formula C17H12ClN3O4 and a molecular weight of 357.75 g/mol. Its IUPAC name is 1-(2-chloro-5-methoxyphenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea.

Molecular Properties

Compound Name1-(2-chloro-5-methoxyphenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea
PubChem CID23373161
Molecular FormulaC17H12ClN3O4
Molecular Weight357.75 g/mol
Exact Mass357.05
IUPAC Name1-(2-chloro-5-methoxyphenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea
SMILESCOc1ccc(Cl)c(NC(=O)NN=c2c(=O)c3ccccc3c2=O)c1
InChIInChI=1S/C17H12ClN3O4/c1-25-9-6-7-12(18)13(8-9)19-17(24)21-20-14-15(22)10-4-2-3-5-11(10)16(14)23/h2-8H,1H3,(H2,19,21,24)
InChIKeyREEYWQUWXGVFLH-UHFFFAOYSA-N
XLogP1.74
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.75
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(1,3-dioxoinden-2-ylidene)amino]-3-(3-methoxyphenyl)urea
CID 23373198
1-[(1,3-dioxoinden-2-ylidene)amino]-3-(3-methoxyphenyl)urea;hydrate
CID 23373197
N-(2-chloro-5-methoxyphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80741109
N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide
CID 67710095
4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide
CID 82810855
3-[(2-chloro-5-methoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66164907
(2S)-3-[(2-chloro-5-methoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 114007392
2-amino-N-(2-chloro-5-methoxyphenyl)-2-phenylpropanamide
CID 62489467
1-[[(2-chloro-5-methoxyphenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451488
1-(2-chloro-5-methoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111431527
1-benzyl-3-(2-chloro-4-methoxyphenyl)urea
CID 110774601
2-(2-chloro-5-methoxyanilino)-N-phenylacetamide
CID 47408313

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methoxyphenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea?
The IUPAC name of 1-(2-chloro-5-methoxyphenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea (CID 23373161) is 1-(2-chloro-5-methoxyphenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea.
What is the SMILES notation for 1-(2-chloro-5-methoxyphenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea?
The canonical SMILES for 1-(2-chloro-5-methoxyphenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea is COc1ccc(Cl)c(NC(=O)NN=c2c(=O)c3ccccc3c2=O)c1.
What is the InChIKey of 1-(2-chloro-5-methoxyphenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea?
The InChIKey is REEYWQUWXGVFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O4/c1-25-9-6-7-12(18)13(8-9)19-17(24)21-20-14-15(22)10-4-2-3-5-11(10)16(14)23/h2-8H,1H3,(H2,19,21,24).
What are the key properties of 1-(2-chloro-5-methoxyphenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea?
1-(2-chloro-5-methoxyphenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea has a molecular weight of 357.75 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methoxyphenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea is sourced from PubChem (CID 23373161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).