3-(benzylcarbamoylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide

C19H22FN3O2 — CID 41236910

IUPAC3-(benzylcarbamoylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
SMILESC[C@@H](NC(=O)CCNC(=O)NCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O2/c1-14(16-7-9-17(20)10-8-16)23-18(24)11-12-21-19(25)22-13-15-5-3-2-4-6-15/h2-10,14H,11-13H2,1H3,(H,23,24)(H2,21,22,25)/t14-/m1/s1
InChIKeyFOFXGCSSIWGXHD-CQSZACIVSA-N
MW343.40 g/mol
LogP2.89
Rot. Bonds7

About 3-(benzylcarbamoylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide

3-(benzylcarbamoylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide (PubChem CID 41236910) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 3-(benzylcarbamoylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(benzylcarbamoylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
PubChem CID41236910
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name3-(benzylcarbamoylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
SMILESC[C@@H](NC(=O)CCNC(=O)NCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O2/c1-14(16-7-9-17(20)10-8-16)23-18(24)11-12-21-19(25)22-13-15-5-3-2-4-6-15/h2-10,14H,11-13H2,1H3,(H,23,24)(H2,21,22,25)/t14-/m1/s1
InChIKeyFOFXGCSSIWGXHD-CQSZACIVSA-N
XLogP2.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(benzylcarbamoylamino)-N-(1-phenylethyl)propanamide
CID 42698521
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide
CID 3943943
1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
CID 51290878
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
3-(benzylcarbamoylamino)-N-(2-methyl-1-phenylpropyl)propanamide
CID 24625545
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649
3-[(2-phenylacetyl)amino]-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
CID 30826333
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716
N-[(4-fluorophenyl)methyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 2201157
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)oxamide
CID 2951597
N-[1-(4-chlorophenyl)ethyl]-3-[(2-phenylacetyl)amino]propanamide
CID 134036301
N-[3-[1-(4-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 43056250

Frequently Asked Questions

What is the IUPAC name of 3-(benzylcarbamoylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(benzylcarbamoylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide (CID 41236910) is 3-(benzylcarbamoylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(benzylcarbamoylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(benzylcarbamoylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide is C[C@@H](NC(=O)CCNC(=O)NCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 3-(benzylcarbamoylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is FOFXGCSSIWGXHD-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-14(16-7-9-17(20)10-8-16)23-18(24)11-12-21-19(25)22-13-15-5-3-2-4-6-15/h2-10,14H,11-13H2,1H3,(H,23,24)(H2,21,22,25)/t14-/m1/s1.
What are the key properties of 3-(benzylcarbamoylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
3-(benzylcarbamoylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 343.40 g/mol, XLogP of 2.89, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylcarbamoylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 41236910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).