benzyl N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]carbamate

C18H19ClN2O4 — CID 2173195

IUPACbenzyl N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]carbamate
SMILESCOc1ccc(Cl)cc1NC(=O)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C18H19ClN2O4/c1-24-16-8-7-14(19)11-15(16)21-17(22)9-10-20-18(23)25-12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyMGYVXFQVFCNWNM-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.60
Rot. Bonds7

About benzyl N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]carbamate

benzyl N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]carbamate (PubChem CID 2173195) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is benzyl N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]carbamate
PubChem CID2173195
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Namebenzyl N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]carbamate
SMILESCOc1ccc(Cl)cc1NC(=O)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C18H19ClN2O4/c1-24-16-8-7-14(19)11-15(16)21-17(22)9-10-20-18(23)25-12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyMGYVXFQVFCNWNM-UHFFFAOYSA-N
XLogP3.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis(5-chloro-2-methoxyphenyl)propanediamide
CID 2386166
N-(5-chloro-2-methoxyphenyl)-2-methoxy-2-phenylacetamide
CID 2897418
N-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylpropanamide
CID 567615
1-(4-chlorophenyl)ethyl N-(2-methoxyphenyl)carbamate
CID 4885255
3-(4-Chloro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide; oxalic acid
CID 11102013
[2-(5-Chloro-2-methoxyanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2429712
N-[(4-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653638
ethyl 4-{[(5-chloro-2-methoxyanilino)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate
CID 2812259
[4-(4-Chloro-benzyl)-morpholin-2-ylmethyl]-(5-chloro-2-methoxy-phenyl)-amine
CID 11315028
benzyl N-[(2S)-1-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-1-oxo-6-(prop-2-enoylamino)hexan-2-yl]carbamate
CID 71450340
N-(5-Chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 868614
N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 2986544

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]carbamate?
The IUPAC name of benzyl N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]carbamate (CID 2173195) is benzyl N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]carbamate.
What is the SMILES notation for benzyl N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]carbamate?
The canonical SMILES for benzyl N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]carbamate is COc1ccc(Cl)cc1NC(=O)CCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]carbamate?
The InChIKey is MGYVXFQVFCNWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-24-16-8-7-14(19)11-15(16)21-17(22)9-10-20-18(23)25-12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of benzyl N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]carbamate?
benzyl N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]carbamate has a molecular weight of 362.81 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]carbamate is sourced from PubChem (CID 2173195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).