N-carbamoyl-2-(4-fluoro-3-methoxyanilino)acetamide

C10H12FN3O3 — CID 114839602

IUPACN-carbamoyl-2-(4-fluoro-3-methoxyanilino)acetamide
SMILESCOc1cc(NCC(=O)NC(N)=O)ccc1F
InChIInChI=1S/C10H12FN3O3/c1-17-8-4-6(2-3-7(8)11)13-5-9(15)14-10(12)16/h2-4,13H,5H2,1H3,(H3,12,14,15,16)
InChIKeyKNOKFQSQJNQRNN-UHFFFAOYSA-N
MW241.22 g/mol
LogP0.44
Rot. Bonds4

About N-carbamoyl-2-(4-fluoro-3-methoxyanilino)acetamide

N-carbamoyl-2-(4-fluoro-3-methoxyanilino)acetamide (PubChem CID 114839602) has the molecular formula C10H12FN3O3 and a molecular weight of 241.22 g/mol. Its IUPAC name is N-carbamoyl-2-(4-fluoro-3-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(4-fluoro-3-methoxyanilino)acetamide
PubChem CID114839602
Molecular FormulaC10H12FN3O3
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC NameN-carbamoyl-2-(4-fluoro-3-methoxyanilino)acetamide
SMILESCOc1cc(NCC(=O)NC(N)=O)ccc1F
InChIInChI=1S/C10H12FN3O3/c1-17-8-4-6(2-3-7(8)11)13-5-9(15)14-10(12)16/h2-4,13H,5H2,1H3,(H3,12,14,15,16)
InChIKeyKNOKFQSQJNQRNN-UHFFFAOYSA-N
XLogP0.44
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-3-methoxyanilino)-N-carbamoylacetamide
CID 79493197
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009628
2-(4-fluoro-3-methoxyanilino)-N-(3-fluorophenyl)acetamide
CID 114839513
3-amino-N-(4-fluoro-3-methoxyphenyl)-3-sulfanylidenepropanamide
CID 114839886
N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839038
(3Z)-3-amino-N-(4-fluoro-3-methoxyphenyl)-3-hydroxyiminopropanamide
CID 114840498
N-carbamoyl-2-(2,4-dimethoxyanilino)acetamide
CID 28570489
N-ethyl-4-fluoro-3-methoxyaniline;hydrochloride
CID 67609576
2-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)acetamide
CID 114839640
2-(3-fluoro-4-methoxyanilino)-N-propan-2-ylacetamide
CID 43380838
3-[(4-fluoro-3-methoxyanilino)methyl]benzamide
CID 114837601
2-amino-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide
CID 114839711

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(4-fluoro-3-methoxyanilino)acetamide?
The IUPAC name of N-carbamoyl-2-(4-fluoro-3-methoxyanilino)acetamide (CID 114839602) is N-carbamoyl-2-(4-fluoro-3-methoxyanilino)acetamide.
What is the SMILES notation for N-carbamoyl-2-(4-fluoro-3-methoxyanilino)acetamide?
The canonical SMILES for N-carbamoyl-2-(4-fluoro-3-methoxyanilino)acetamide is COc1cc(NCC(=O)NC(N)=O)ccc1F.
What is the InChIKey of N-carbamoyl-2-(4-fluoro-3-methoxyanilino)acetamide?
The InChIKey is KNOKFQSQJNQRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3/c1-17-8-4-6(2-3-7(8)11)13-5-9(15)14-10(12)16/h2-4,13H,5H2,1H3,(H3,12,14,15,16).
What are the key properties of N-carbamoyl-2-(4-fluoro-3-methoxyanilino)acetamide?
N-carbamoyl-2-(4-fluoro-3-methoxyanilino)acetamide has a molecular weight of 241.22 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(4-fluoro-3-methoxyanilino)acetamide is sourced from PubChem (CID 114839602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).