(4-chlorophenyl)methyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate

C18H16ClF2NO5 — CID 7580674

IUPAC(4-chlorophenyl)methyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
SMILESCOc1cc(C(=O)NCC(=O)OCc2ccc(Cl)cc2)ccc1OC(F)F
InChIInChI=1S/C18H16ClF2NO5/c1-25-15-8-12(4-7-14(15)27-18(20)21)17(24)22-9-16(23)26-10-11-2-5-13(19)6-3-11/h2-8,18H,9-10H2,1H3,(H,22,24)
InChIKeyQTILHZAZVZEADJ-UHFFFAOYSA-N
MW399.78 g/mol
LogP3.42
Rot. Bonds8

About (4-chlorophenyl)methyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate

(4-chlorophenyl)methyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate (PubChem CID 7580674) has the molecular formula C18H16ClF2NO5 and a molecular weight of 399.78 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
PubChem CID7580674
Molecular FormulaC18H16ClF2NO5
Molecular Weight399.78 g/mol
Exact Mass399.07
IUPAC Name(4-chlorophenyl)methyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
SMILESCOc1cc(C(=O)NCC(=O)OCc2ccc(Cl)cc2)ccc1OC(F)F
InChIInChI=1S/C18H16ClF2NO5/c1-25-15-8-12(4-7-14(15)27-18(20)21)17(24)22-9-16(23)26-10-11-2-5-13(19)6-3-11/h2-8,18H,9-10H2,1H3,(H,22,24)
InChIKeyQTILHZAZVZEADJ-UHFFFAOYSA-N
XLogP3.42
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.78
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26533075
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217161
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 30760216
N'-[2-(4-chlorophenyl)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide
CID 26657660
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580651
phenacyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580682
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide
CID 158622602
[2-oxo-2-(propylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580652
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 3524412
N-[(3-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 2171958
N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide
CID 55328783

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate?
The IUPAC name of (4-chlorophenyl)methyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate (CID 7580674) is (4-chlorophenyl)methyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate.
What is the SMILES notation for (4-chlorophenyl)methyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate?
The canonical SMILES for (4-chlorophenyl)methyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate is COc1cc(C(=O)NCC(=O)OCc2ccc(Cl)cc2)ccc1OC(F)F.
What is the InChIKey of (4-chlorophenyl)methyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate?
The InChIKey is QTILHZAZVZEADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2NO5/c1-25-15-8-12(4-7-14(15)27-18(20)21)17(24)22-9-16(23)26-10-11-2-5-13(19)6-3-11/h2-8,18H,9-10H2,1H3,(H,22,24).
What are the key properties of (4-chlorophenyl)methyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate?
(4-chlorophenyl)methyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate has a molecular weight of 399.78 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate is sourced from PubChem (CID 7580674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).