[(E)-[1-(4-methoxyphenyl)-1-oxopropan-2-ylidene]amino] N-(3-chlorophenyl)carbamate

C17H15ClN2O4 — CID 6949721

IUPAC[(E)-[1-(4-methoxyphenyl)-1-oxopropan-2-ylidene]amino] N-(3-chlorophenyl)carbamate
SMILESCOc1ccc(C(=O)/C(C)=N/OC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H15ClN2O4/c1-11(16(21)12-6-8-15(23-2)9-7-12)20-24-17(22)19-14-5-3-4-13(18)10-14/h3-10H,1-2H3,(H,19,22)/b20-11+
InChIKeyJORAGINBYRHVNF-RGVLZGJSSA-N
MW346.77 g/mol
LogP4.16
Rot. Bonds5

About [(E)-[1-(4-methoxyphenyl)-1-oxopropan-2-ylidene]amino] N-(3-chlorophenyl)carbamate

[(E)-[1-(4-methoxyphenyl)-1-oxopropan-2-ylidene]amino] N-(3-chlorophenyl)carbamate (PubChem CID 6949721) has the molecular formula C17H15ClN2O4 and a molecular weight of 346.77 g/mol. Its IUPAC name is [(E)-[1-(4-methoxyphenyl)-1-oxopropan-2-ylidene]amino] N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name[(E)-[1-(4-methoxyphenyl)-1-oxopropan-2-ylidene]amino] N-(3-chlorophenyl)carbamate
PubChem CID6949721
Molecular FormulaC17H15ClN2O4
Molecular Weight346.77 g/mol
Exact Mass346.07
IUPAC Name[(E)-[1-(4-methoxyphenyl)-1-oxopropan-2-ylidene]amino] N-(3-chlorophenyl)carbamate
SMILESCOc1ccc(C(=O)/C(C)=N/OC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H15ClN2O4/c1-11(16(21)12-6-8-15(23-2)9-7-12)20-24-17(22)19-14-5-3-4-13(18)10-14/h3-10H,1-2H3,(H,19,22)/b20-11+
InChIKeyJORAGINBYRHVNF-RGVLZGJSSA-N
XLogP4.16
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
(benzhydrylideneamino) N-(3-chlorophenyl)carbamate
CID 3836525
methyl N-(3-chlorophenyl)carbamate
CID 16529
N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 3604523
2-[[4-amino-5-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide
CID 17077421
[[amino(2,1,3-benzoxadiazol-5-yl)methylidene]amino] N-(3-chlorophenyl)carbamate
CID 2821570
[1-(3-phenylphenyl)ethylideneamino] N-(4-methoxyphenyl)carbamate
CID 75034418
(2,5-dimethoxyphenyl)methyl N-(3-chlorophenyl)carbamate
CID 134112809
N-(3-chlorophenyl)-2-hydroxy-4-methoxybenzamide
CID 5274047
(3-chlorophenyl)methyl 3-[(4-methoxybenzoyl)amino]benzoate
CID 1305098
[4-[[[2-(3-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 4187456
N-(3-chlorophenyl)-4-propan-2-yloxybenzamide
CID 823397

Frequently Asked Questions

What is the IUPAC name of [(E)-[1-(4-methoxyphenyl)-1-oxopropan-2-ylidene]amino] N-(3-chlorophenyl)carbamate?
The IUPAC name of [(E)-[1-(4-methoxyphenyl)-1-oxopropan-2-ylidene]amino] N-(3-chlorophenyl)carbamate (CID 6949721) is [(E)-[1-(4-methoxyphenyl)-1-oxopropan-2-ylidene]amino] N-(3-chlorophenyl)carbamate.
What is the SMILES notation for [(E)-[1-(4-methoxyphenyl)-1-oxopropan-2-ylidene]amino] N-(3-chlorophenyl)carbamate?
The canonical SMILES for [(E)-[1-(4-methoxyphenyl)-1-oxopropan-2-ylidene]amino] N-(3-chlorophenyl)carbamate is COc1ccc(C(=O)/C(C)=N/OC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of [(E)-[1-(4-methoxyphenyl)-1-oxopropan-2-ylidene]amino] N-(3-chlorophenyl)carbamate?
The InChIKey is JORAGINBYRHVNF-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H15ClN2O4/c1-11(16(21)12-6-8-15(23-2)9-7-12)20-24-17(22)19-14-5-3-4-13(18)10-14/h3-10H,1-2H3,(H,19,22)/b20-11+.
What are the key properties of [(E)-[1-(4-methoxyphenyl)-1-oxopropan-2-ylidene]amino] N-(3-chlorophenyl)carbamate?
[(E)-[1-(4-methoxyphenyl)-1-oxopropan-2-ylidene]amino] N-(3-chlorophenyl)carbamate has a molecular weight of 346.77 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[1-(4-methoxyphenyl)-1-oxopropan-2-ylidene]amino] N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 6949721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).