(4-methoxyphenyl)methyl N-[(3-chlorobenzoyl)amino]carbamate

C16H15ClN2O4 — CID 870443

IUPAC(4-methoxyphenyl)methyl N-[(3-chlorobenzoyl)amino]carbamate
SMILESCOc1ccc(COC(=O)NNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H15ClN2O4/c1-22-14-7-5-11(6-8-14)10-23-16(21)19-18-15(20)12-3-2-4-13(17)9-12/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyRCTGNKROOFRINI-UHFFFAOYSA-N
MW334.76 g/mol
LogP2.92
Rot. Bonds4

About (4-methoxyphenyl)methyl N-[(3-chlorobenzoyl)amino]carbamate

(4-methoxyphenyl)methyl N-[(3-chlorobenzoyl)amino]carbamate (PubChem CID 870443) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl N-[(3-chlorobenzoyl)amino]carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl N-[(3-chlorobenzoyl)amino]carbamate
PubChem CID870443
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name(4-methoxyphenyl)methyl N-[(3-chlorobenzoyl)amino]carbamate
SMILESCOc1ccc(COC(=O)NNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H15ClN2O4/c1-22-14-7-5-11(6-8-14)10-23-16(21)19-18-15(20)12-3-2-4-13(17)9-12/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyRCTGNKROOFRINI-UHFFFAOYSA-N
XLogP2.92
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[(3-chlorobenzoyl)amino]carbamate
CID 7979102
N'-(3-chlorobenzoyl)-2,5-dimethoxybenzohydrazide
CID 8637145
3-chloro-N'-[2-[(3-methoxyphenyl)methoxy]acetyl]benzohydrazide
CID 46471065
N'-[5-amino-6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19142591
N-[[(3-chlorobenzoyl)amino]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 5184026
N'-(4-butoxybenzoyl)-3-chlorobenzohydrazide
CID 9475751
benzyl N-benzamidocarbamate
CID 4935848
(3-chlorophenyl)methyl 3-[(4-methoxybenzoyl)amino]benzoate
CID 1305098
(4-methoxyphenyl)methyl N-[3-[[4-(aminomethyl)phenyl]methoxy]-4-methoxybenzoyl]carbamate
CID 57151569
(4-methoxyphenyl)methyl N-[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxybenzoyl]carbamate
CID 57050965
(3-chlorophenyl)methyl 3-methoxybenzoate
CID 91715053
N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-(4-methoxyphenyl)acetamide
CID 6004384

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl N-[(3-chlorobenzoyl)amino]carbamate?
The IUPAC name of (4-methoxyphenyl)methyl N-[(3-chlorobenzoyl)amino]carbamate (CID 870443) is (4-methoxyphenyl)methyl N-[(3-chlorobenzoyl)amino]carbamate.
What is the SMILES notation for (4-methoxyphenyl)methyl N-[(3-chlorobenzoyl)amino]carbamate?
The canonical SMILES for (4-methoxyphenyl)methyl N-[(3-chlorobenzoyl)amino]carbamate is COc1ccc(COC(=O)NNC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl N-[(3-chlorobenzoyl)amino]carbamate?
The InChIKey is RCTGNKROOFRINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-22-14-7-5-11(6-8-14)10-23-16(21)19-18-15(20)12-3-2-4-13(17)9-12/h2-9H,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of (4-methoxyphenyl)methyl N-[(3-chlorobenzoyl)amino]carbamate?
(4-methoxyphenyl)methyl N-[(3-chlorobenzoyl)amino]carbamate has a molecular weight of 334.76 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl N-[(3-chlorobenzoyl)amino]carbamate is sourced from PubChem (CID 870443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).