4-(2-amino-2-oxoethoxy)-3-chloro-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-5-methoxybenzamide

C19H18ClFN2O4 — CID 120606571

IUPAC4-(2-amino-2-oxoethoxy)-3-chloro-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-5-methoxybenzamide
SMILESCOc1cc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C19H18ClFN2O4/c1-26-16-7-11(6-14(20)18(16)27-9-17(22)24)19(25)23-15-8-13(15)10-3-2-4-12(21)5-10/h2-7,13,15H,8-9H2,1H3,(H2,22,24)(H,23,25)/t13-,15+/m0/s1
InChIKeyVJLBDNZVFJDUSO-DZGCQCFKSA-N
MW392.81 g/mol
LogP2.64
Rot. Bonds7

About 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-5-methoxybenzamide

4-(2-amino-2-oxoethoxy)-3-chloro-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-5-methoxybenzamide (PubChem CID 120606571) has the molecular formula C19H18ClFN2O4 and a molecular weight of 392.81 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-5-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-chloro-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-5-methoxybenzamide
PubChem CID120606571
Molecular FormulaC19H18ClFN2O4
Molecular Weight392.81 g/mol
Exact Mass392.09
IUPAC Name4-(2-amino-2-oxoethoxy)-3-chloro-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-5-methoxybenzamide
SMILESCOc1cc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C19H18ClFN2O4/c1-26-16-7-11(6-14(20)18(16)27-9-17(22)24)19(25)23-15-8-13(15)10-3-2-4-12(21)5-10/h2-7,13,15H,8-9H2,1H3,(H2,22,24)(H,23,25)/t13-,15+/m0/s1
InChIKeyVJLBDNZVFJDUSO-DZGCQCFKSA-N
XLogP2.64
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.81
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-5-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-adamantyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide
CID 18138322
N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119477661
4-(2-amino-2-oxoethoxy)-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-methoxybenzamide
CID 51316375
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3-fluorophenyl)methyl]-5-methoxy-N-methylbenzamide
CID 18136436
2-[2-chloro-4-[[2-(3-fluorophenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide
CID 35607506
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601789
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-methoxybenzamide
CID 26238768
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxybenzamide
CID 18138817
4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-5-methoxybenzamide
CID 55724832
4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide
CID 42475729
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 17442232
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 24614600

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-5-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-5-methoxybenzamide (CID 120606571) is 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-5-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-5-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-5-methoxybenzamide is COc1cc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-5-methoxybenzamide?
The InChIKey is VJLBDNZVFJDUSO-DZGCQCFKSA-N. The full InChI is InChI=1S/C19H18ClFN2O4/c1-26-16-7-11(6-14(20)18(16)27-9-17(22)24)19(25)23-15-8-13(15)10-3-2-4-12(21)5-10/h2-7,13,15H,8-9H2,1H3,(H2,22,24)(H,23,25)/t13-,15+/m0/s1.
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-5-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-5-methoxybenzamide has a molecular weight of 392.81 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-5-methoxybenzamide is sourced from PubChem (CID 120606571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).