2-(cyclopropylmethylamino)-N-[(4-fluorophenyl)-phenylmethyl]acetamide

C19H21FN2O — CID 119716453

IUPAC2-(cyclopropylmethylamino)-N-[(4-fluorophenyl)-phenylmethyl]acetamide
SMILESO=C(CNCC1CC1)NC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O/c20-17-10-8-16(9-11-17)19(15-4-2-1-3-5-15)22-18(23)13-21-12-14-6-7-14/h1-5,8-11,14,19,21H,6-7,12-13H2,(H,22,23)
InChIKeyFOVAIKLHEXXWMR-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.03
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[(4-fluorophenyl)-phenylmethyl]acetamide

2-(cyclopropylmethylamino)-N-[(4-fluorophenyl)-phenylmethyl]acetamide (PubChem CID 119716453) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[(4-fluorophenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[(4-fluorophenyl)-phenylmethyl]acetamide
PubChem CID119716453
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name2-(cyclopropylmethylamino)-N-[(4-fluorophenyl)-phenylmethyl]acetamide
SMILESO=C(CNCC1CC1)NC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O/c20-17-10-8-16(9-11-17)19(15-4-2-1-3-5-15)22-18(23)13-21-12-14-6-7-14/h1-5,8-11,14,19,21H,6-7,12-13H2,(H,22,23)
InChIKeyFOVAIKLHEXXWMR-UHFFFAOYSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)-phenylmethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119750778
3-[[2-(cyclopropylmethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 61157097
N-[(4-fluorophenyl)-phenylmethyl]-2-methoxyacetamide
CID 47161833
2-(cyclopropylmethylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide;hydrochloride
CID 119796976
2-(cyclopropylmethylamino)-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide
CID 119735715
2-(cyclopropylmethylamino)-N-(1,1-diphenylpropan-2-yl)acetamide
CID 119716624
2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride
CID 119724732
N-[bis(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 119748317
2-(2-chlorophenyl)-N-[(4-fluorophenyl)-phenylmethyl]acetamide
CID 55583548
N-benzhydryl-2-(cyclopropylamino)acetamide
CID 60647106
2-[[(S)-(4-fluorophenyl)-phenylmethyl]amino]-2-oxoacetic acid
CID 99784106
2-(cyclopropylmethylamino)-N-(2-hydroxy-2-phenylethyl)acetamide;hydrochloride
CID 119676983

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[(4-fluorophenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[(4-fluorophenyl)-phenylmethyl]acetamide (CID 119716453) is 2-(cyclopropylmethylamino)-N-[(4-fluorophenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[(4-fluorophenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[(4-fluorophenyl)-phenylmethyl]acetamide is O=C(CNCC1CC1)NC(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[(4-fluorophenyl)-phenylmethyl]acetamide?
The InChIKey is FOVAIKLHEXXWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c20-17-10-8-16(9-11-17)19(15-4-2-1-3-5-15)22-18(23)13-21-12-14-6-7-14/h1-5,8-11,14,19,21H,6-7,12-13H2,(H,22,23).
What are the key properties of 2-(cyclopropylmethylamino)-N-[(4-fluorophenyl)-phenylmethyl]acetamide?
2-(cyclopropylmethylamino)-N-[(4-fluorophenyl)-phenylmethyl]acetamide has a molecular weight of 312.39 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[(4-fluorophenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 119716453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).