N-(2-amino-2-oxo-1-phenylethyl)-3-chloro-5-ethoxy-4-propoxybenzamide

C20H23ClN2O4 — CID 51308756

IUPACN-(2-amino-2-oxo-1-phenylethyl)-3-chloro-5-ethoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NC(C(N)=O)c2ccccc2)cc1OCC
InChIInChI=1S/C20H23ClN2O4/c1-3-10-27-18-15(21)11-14(12-16(18)26-4-2)20(25)23-17(19(22)24)13-8-6-5-7-9-13/h5-9,11-12,17H,3-4,10H2,1-2H3,(H2,22,24)(H,23,25)
InChIKeyZWPAZKBOMZXHFO-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.48
Rot. Bonds9

About N-(2-amino-2-oxo-1-phenylethyl)-3-chloro-5-ethoxy-4-propoxybenzamide

N-(2-amino-2-oxo-1-phenylethyl)-3-chloro-5-ethoxy-4-propoxybenzamide (PubChem CID 51308756) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)-3-chloro-5-ethoxy-4-propoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)-3-chloro-5-ethoxy-4-propoxybenzamide
PubChem CID51308756
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)-3-chloro-5-ethoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NC(C(N)=O)c2ccccc2)cc1OCC
InChIInChI=1S/C20H23ClN2O4/c1-3-10-27-18-15(21)11-14(12-16(18)26-4-2)20(25)23-17(19(22)24)13-8-6-5-7-9-13/h5-9,11-12,17H,3-4,10H2,1-2H3,(H2,22,24)(H,23,25)
InChIKeyZWPAZKBOMZXHFO-UHFFFAOYSA-N
XLogP3.48
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxo-1-phenylethyl)-3,4,5-triethoxybenzamide
CID 51308652
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
CID 120506829
3-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-phenylpropanoic acid
CID 45461561
(2S)-2-[(3-ethoxy-4-propoxybenzoyl)amino]-2-phenylacetic acid
CID 119372647
3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide
CID 18224809
(1-amino-1-oxopropan-2-yl) 3-chloro-5-ethoxy-4-propoxybenzoate
CID 6914957
N-(2-amino-1-cyclopropylethyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
CID 119614001
3-chloro-5-ethoxy-N-[3-(propanoylamino)phenyl]-4-propoxybenzamide
CID 38024353
3-(3-chloro-5-ethoxy-4-propoxyphenyl)-2-phenylpropanoic acid
CID 20988297
N-(3-amino-2-methylpropyl)-3-chloro-5-ethoxy-4-propoxybenzamide
CID 119996833
3-chloro-5-ethoxy-N-[(2R)-2-(ethylamino)propyl]-4-propoxybenzamide
CID 120652489
4-butoxy-3-chloro-5-ethoxy-N'-phenylbenzohydrazide
CID 78774711

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-3-chloro-5-ethoxy-4-propoxybenzamide?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-3-chloro-5-ethoxy-4-propoxybenzamide (CID 51308756) is N-(2-amino-2-oxo-1-phenylethyl)-3-chloro-5-ethoxy-4-propoxybenzamide.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)-3-chloro-5-ethoxy-4-propoxybenzamide?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)-3-chloro-5-ethoxy-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)NC(C(N)=O)c2ccccc2)cc1OCC.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)-3-chloro-5-ethoxy-4-propoxybenzamide?
The InChIKey is ZWPAZKBOMZXHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-3-10-27-18-15(21)11-14(12-16(18)26-4-2)20(25)23-17(19(22)24)13-8-6-5-7-9-13/h5-9,11-12,17H,3-4,10H2,1-2H3,(H2,22,24)(H,23,25).
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)-3-chloro-5-ethoxy-4-propoxybenzamide?
N-(2-amino-2-oxo-1-phenylethyl)-3-chloro-5-ethoxy-4-propoxybenzamide has a molecular weight of 390.87 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)-3-chloro-5-ethoxy-4-propoxybenzamide is sourced from PubChem (CID 51308756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).