N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide

C18H19ClN2O3 — CID 27660429

IUPACN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-2-24-16-9-5-14(6-10-16)18(23)21-12-17(22)20-11-13-3-7-15(19)8-4-13/h3-10H,2,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyPVUCVNOGEWBMPZ-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.78
Rot. Bonds7

About N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide (PubChem CID 27660429) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
PubChem CID27660429
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-2-24-16-9-5-14(6-10-16)18(23)21-12-17(22)20-11-13-3-7-15(19)8-4-13/h3-10H,2,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyPVUCVNOGEWBMPZ-UHFFFAOYSA-N
XLogP2.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022553
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
4-ethoxy-N-[2-[(4-nitrophenyl)methylamino]-2-oxoethyl]benzamide
CID 60552577
4-[[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
CID 55636040
4-ethoxy-N-[2-oxo-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]benzamide
CID 46465059
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 110285271
2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884594
N-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
CID 60918064
4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 7971592
N-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119714333
4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 17349908
4-butoxy-N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]benzamide
CID 7478451

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide (CID 27660429) is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCC(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide?
The InChIKey is PVUCVNOGEWBMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-2-24-16-9-5-14(6-10-16)18(23)21-12-17(22)20-11-13-3-7-15(19)8-4-13/h3-10H,2,11-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide?
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide has a molecular weight of 346.81 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide is sourced from PubChem (CID 27660429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).