2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide

C14H18FN3O2 — CID 119758034

IUPAC2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
SMILESO=C(CNCC1CC1)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H18FN3O2/c15-11-3-5-12(6-4-11)18-14(20)9-17-13(19)8-16-7-10-1-2-10/h3-6,10,16H,1-2,7-9H2,(H,17,19)(H,18,20)
InChIKeyOCUIRNULCYTQSB-UHFFFAOYSA-N
MW279.31 g/mol
LogP0.88
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide

2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide (PubChem CID 119758034) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
PubChem CID119758034
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
SMILESO=C(CNCC1CC1)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H18FN3O2/c15-11-3-5-12(6-4-11)18-14(20)9-17-13(19)8-16-7-10-1-2-10/h3-6,10,16H,1-2,7-9H2,(H,17,19)(H,18,20)
InChIKeyOCUIRNULCYTQSB-UHFFFAOYSA-N
XLogP0.88
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[(4-methylcyclohexyl)methylamino]acetamide
CID 63243623
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
2-(cyclooctylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 9265208
methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
CID 60866405
2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride
CID 119694268
2-(cyclopropylmethylamino)-N-(3-fluorophenyl)acetamide
CID 28566886
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(4-fluorophenyl)acetamide
CID 60856879
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119700150
2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 60842957
4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride
CID 119672411
N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119752578
2-(cyclopropylmethylamino)-N-(4-fluoro-3-methylphenyl)acetamide;hydrochloride
CID 119707226

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide (CID 119758034) is 2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide is O=C(CNCC1CC1)NCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide?
The InChIKey is OCUIRNULCYTQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c15-11-3-5-12(6-4-11)18-14(20)9-17-13(19)8-16-7-10-1-2-10/h3-6,10,16H,1-2,7-9H2,(H,17,19)(H,18,20).
What are the key properties of 2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide?
2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide has a molecular weight of 279.31 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 119758034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).