N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide

C19H19ClF2N2O4 — CID 9217161

IUPACN-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)NCCc2ccc(Cl)cc2)ccc1OC(F)F
InChIInChI=1S/C19H19ClF2N2O4/c1-27-16-10-13(4-7-15(16)28-19(21)22)18(26)24-11-17(25)23-9-8-12-2-5-14(20)6-3-12/h2-7,10,19H,8-9,11H2,1H3,(H,23,25)(H,24,26)
InChIKeyGJZMRSYAFNOPFS-UHFFFAOYSA-N
MW412.82 g/mol
LogP3.04
Rot. Bonds9

About N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide

N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 9217161) has the molecular formula C19H19ClF2N2O4 and a molecular weight of 412.82 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
PubChem CID9217161
Molecular FormulaC19H19ClF2N2O4
Molecular Weight412.82 g/mol
Exact Mass412.10
IUPAC NameN-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)NCCc2ccc(Cl)cc2)ccc1OC(F)F
InChIInChI=1S/C19H19ClF2N2O4/c1-27-16-10-13(4-7-15(16)28-19(21)22)18(26)24-11-17(25)23-9-8-12-2-5-14(20)6-3-12/h2-7,10,19H,8-9,11H2,1H3,(H,23,25)(H,24,26)
InChIKeyGJZMRSYAFNOPFS-UHFFFAOYSA-N
XLogP3.04
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.82
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26533075
N-[2-[3-(4-chlorophenyl)propylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 60614192
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
(4-chlorophenyl)methyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580674
4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 35515205
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27646735
N'-[2-(4-chlorophenyl)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide
CID 26657660
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-methoxy-4-methylbenzamide
CID 8528927
N-[2-(3-chloroanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9412072
[2-oxo-2-(propylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580652
N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide
CID 55328783

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide (CID 9217161) is N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide is COc1cc(C(=O)NCC(=O)NCCc2ccc(Cl)cc2)ccc1OC(F)F.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is GJZMRSYAFNOPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N2O4/c1-27-16-10-13(4-7-15(16)28-19(21)22)18(26)24-11-17(25)23-9-8-12-2-5-14(20)6-3-12/h2-7,10,19H,8-9,11H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide?
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide has a molecular weight of 412.82 g/mol, XLogP of 3.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 9217161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).