(2R)-2-(carbamoylamino)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)propanamide

C14H19ClFN3O3 — CID 95615840

IUPAC(2R)-2-(carbamoylamino)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)propanamide
SMILESCOCCN(Cc1ccc(F)cc1Cl)C(=O)[C@@H](C)NC(N)=O
InChIInChI=1S/C14H19ClFN3O3/c1-9(18-14(17)21)13(20)19(5-6-22-2)8-10-3-4-11(16)7-12(10)15/h3-4,7,9H,5-6,8H2,1-2H3,(H3,17,18,21)/t9-/m1/s1
InChIKeyHPGOQHFETILKPM-SECBINFHSA-N
MW331.78 g/mol
LogP1.51
Rot. Bonds7

About (2R)-2-(carbamoylamino)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)propanamide

(2R)-2-(carbamoylamino)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)propanamide (PubChem CID 95615840) has the molecular formula C14H19ClFN3O3 and a molecular weight of 331.78 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)propanamide
PubChem CID95615840
Molecular FormulaC14H19ClFN3O3
Molecular Weight331.78 g/mol
Exact Mass331.11
IUPAC Name(2R)-2-(carbamoylamino)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)propanamide
SMILESCOCCN(Cc1ccc(F)cc1Cl)C(=O)[C@@H](C)NC(N)=O
InChIInChI=1S/C14H19ClFN3O3/c1-9(18-14(17)21)13(20)19(5-6-22-2)8-10-3-4-11(16)7-12(10)15/h3-4,7,9H,5-6,8H2,1-2H3,(H3,17,18,21)/t9-/m1/s1
InChIKeyHPGOQHFETILKPM-SECBINFHSA-N
XLogP1.51
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of (2R)-2-(carbamoylamino)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)propanamide (CID 95615840) is (2R)-2-(carbamoylamino)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for (2R)-2-(carbamoylamino)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for (2R)-2-(carbamoylamino)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)propanamide is COCCN(Cc1ccc(F)cc1Cl)C(=O)[C@@H](C)NC(N)=O.
What is the InChIKey of (2R)-2-(carbamoylamino)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)propanamide?
The InChIKey is HPGOQHFETILKPM-SECBINFHSA-N. The full InChI is InChI=1S/C14H19ClFN3O3/c1-9(18-14(17)21)13(20)19(5-6-22-2)8-10-3-4-11(16)7-12(10)15/h3-4,7,9H,5-6,8H2,1-2H3,(H3,17,18,21)/t9-/m1/s1.
What are the key properties of (2R)-2-(carbamoylamino)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)propanamide?
(2R)-2-(carbamoylamino)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)propanamide has a molecular weight of 331.78 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carbamoylamino)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 95615840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).