(2R)-N-(ethylcarbamoyl)-2-[3-[(4-fluorophenyl)methoxy]anilino]propanamide

C19H22FN3O3 — CID 35627370

IUPAC(2R)-N-(ethylcarbamoyl)-2-[3-[(4-fluorophenyl)methoxy]anilino]propanamide
SMILESCCNC(=O)NC(=O)[C@@H](C)Nc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C19H22FN3O3/c1-3-21-19(25)23-18(24)13(2)22-16-5-4-6-17(11-16)26-12-14-7-9-15(20)10-8-14/h4-11,13,22H,3,12H2,1-2H3,(H2,21,23,24,25)/t13-/m1/s1
InChIKeyUERXNPHXTNZOMJ-CYBMUJFWSA-N
MW359.40 g/mol
LogP3.05
Rot. Bonds7

About (2R)-N-(ethylcarbamoyl)-2-[3-[(4-fluorophenyl)methoxy]anilino]propanamide

(2R)-N-(ethylcarbamoyl)-2-[3-[(4-fluorophenyl)methoxy]anilino]propanamide (PubChem CID 35627370) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is (2R)-N-(ethylcarbamoyl)-2-[3-[(4-fluorophenyl)methoxy]anilino]propanamide.

Molecular Properties

Compound Name(2R)-N-(ethylcarbamoyl)-2-[3-[(4-fluorophenyl)methoxy]anilino]propanamide
PubChem CID35627370
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name(2R)-N-(ethylcarbamoyl)-2-[3-[(4-fluorophenyl)methoxy]anilino]propanamide
SMILESCCNC(=O)NC(=O)[C@@H](C)Nc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C19H22FN3O3/c1-3-21-19(25)23-18(24)13(2)22-16-5-4-6-17(11-16)26-12-14-7-9-15(20)10-8-14/h4-11,13,22H,3,12H2,1-2H3,(H2,21,23,24,25)/t13-/m1/s1
InChIKeyUERXNPHXTNZOMJ-CYBMUJFWSA-N
XLogP3.05
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

AAE-M-PBP-amine
CID 24763223
N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide
CID 24750069
1-(M-Anisyl)-3-benzylurea
CID 2822865
3-(M-Anisyl)-1,1-dibenzylurea
CID 3411091
(2S)-2-amino-N-[4-(benzyloxy)phenyl]propanamide
CID 22690542
N-(4-ethoxybenzyl)-N'-phenylurea
CID 757706
N-[2-(4-fluorophenyl)ethyl]-N'-(3-methoxyphenyl)oxamide
CID 3691945
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 6464473
N-benzyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6468739
N-(4-fluorophenyl)-2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]acetamide
CID 16293712
N-(4-fluorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]ethanediamide
CID 2218015
2-{N-(3-methoxyphenyl)-2-[3-(3-methylphenyl)ureido]acetamido}-N-methyl-N-phenylacetamide
CID 9868877

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(ethylcarbamoyl)-2-[3-[(4-fluorophenyl)methoxy]anilino]propanamide?
The IUPAC name of (2R)-N-(ethylcarbamoyl)-2-[3-[(4-fluorophenyl)methoxy]anilino]propanamide (CID 35627370) is (2R)-N-(ethylcarbamoyl)-2-[3-[(4-fluorophenyl)methoxy]anilino]propanamide.
What is the SMILES notation for (2R)-N-(ethylcarbamoyl)-2-[3-[(4-fluorophenyl)methoxy]anilino]propanamide?
The canonical SMILES for (2R)-N-(ethylcarbamoyl)-2-[3-[(4-fluorophenyl)methoxy]anilino]propanamide is CCNC(=O)NC(=O)[C@@H](C)Nc1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of (2R)-N-(ethylcarbamoyl)-2-[3-[(4-fluorophenyl)methoxy]anilino]propanamide?
The InChIKey is UERXNPHXTNZOMJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-3-21-19(25)23-18(24)13(2)22-16-5-4-6-17(11-16)26-12-14-7-9-15(20)10-8-14/h4-11,13,22H,3,12H2,1-2H3,(H2,21,23,24,25)/t13-/m1/s1.
What are the key properties of (2R)-N-(ethylcarbamoyl)-2-[3-[(4-fluorophenyl)methoxy]anilino]propanamide?
(2R)-N-(ethylcarbamoyl)-2-[3-[(4-fluorophenyl)methoxy]anilino]propanamide has a molecular weight of 359.40 g/mol, XLogP of 3.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(ethylcarbamoyl)-2-[3-[(4-fluorophenyl)methoxy]anilino]propanamide is sourced from PubChem (CID 35627370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).