(2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide

C11H13F2N3O3 — CID 32554575

IUPAC(2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
SMILESC[C@H](NC(N)=O)C(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C11H13F2N3O3/c1-6(15-11(14)18)9(17)16-7-2-4-8(5-3-7)19-10(12)13/h2-6,10H,1H3,(H,16,17)(H3,14,15,18)/t6-/m0/s1
InChIKeyLVWLICIMALHVLO-LURJTMIESA-N
MW273.24 g/mol
LogP1.28
Rot. Bonds5

About (2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide

(2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide (PubChem CID 32554575) has the molecular formula C11H13F2N3O3 and a molecular weight of 273.24 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
PubChem CID32554575
Molecular FormulaC11H13F2N3O3
Molecular Weight273.24 g/mol
Exact Mass273.09
IUPAC Name(2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
SMILESC[C@H](NC(N)=O)C(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C11H13F2N3O3/c1-6(15-11(14)18)9(17)16-7-2-4-8(5-3-7)19-10(12)13/h2-6,10H,1H3,(H,16,17)(H3,14,15,18)/t6-/m0/s1
InChIKeyLVWLICIMALHVLO-LURJTMIESA-N
XLogP1.28
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(carbamoylamino)propanoylamino]benzamide
CID 24640882
N-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide
CID 17464128
(2R)-N-[4-(4-bromophenoxy)phenyl]-2-(carbamoylamino)propanamide
CID 25481714
2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 24641052
2-(carbamoylamino)-N-[4-(4-ethoxyphenoxy)phenyl]propanamide
CID 18159437
methyl 4-[2-(carbamoylamino)propanoylamino]benzoate
CID 4005105
(2R)-N-(4-acetylphenyl)-2-(carbamoylamino)propanamide
CID 2366200
(2S)-N-tert-butyl-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]propanamide
CID 95298417
2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 4638854
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide
CID 26027108
2-amino-N-[4-(difluoromethoxy)phenyl]butanediamide;hydrochloride
CID 119955811

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide (CID 32554575) is (2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide is C[C@H](NC(N)=O)C(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of (2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide?
The InChIKey is LVWLICIMALHVLO-LURJTMIESA-N. The full InChI is InChI=1S/C11H13F2N3O3/c1-6(15-11(14)18)9(17)16-7-2-4-8(5-3-7)19-10(12)13/h2-6,10H,1H3,(H,16,17)(H3,14,15,18)/t6-/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide?
(2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide has a molecular weight of 273.24 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 32554575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).