N-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide

C14H19FN2O — CID 81365357

IUPACN-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)NCC1CC1)c1cccc(F)c1
InChIInChI=1S/C14H19FN2O/c1-10(12-3-2-4-13(15)7-12)16-9-14(18)17-8-11-5-6-11/h2-4,7,10-11,16H,5-6,8-9H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeyQBXPKMQOAHLWOB-SNVBAGLBSA-N
MW250.32 g/mol
LogP2.00
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide

N-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide (PubChem CID 81365357) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
PubChem CID81365357
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)NCC1CC1)c1cccc(F)c1
InChIInChI=1S/C14H19FN2O/c1-10(12-3-2-4-13(15)7-12)16-9-14(18)17-8-11-5-6-11/h2-4,7,10-11,16H,5-6,8-9H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeyQBXPKMQOAHLWOB-SNVBAGLBSA-N
XLogP2.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]acetamide
CID 81348477
N-(cyclopropylmethyl)-2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetamide
CID 81373337
N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352151
(1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81369388
2-[1-(3-fluorophenyl)ethylamino]-N-(3-methylbutan-2-yl)acetamide
CID 60694421
N-(cyclopropylmethyl)-2-[1-(4-methylphenyl)ethylamino]acetamide
CID 54963386
(1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 81364808
1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386409
(1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81365320
2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylbutan-2-yl)acetamide
CID 60674328
2-[[(1S)-1-(4-bromo-2-fluorophenyl)ethyl]amino]-N-(cyclopropylmethyl)acetamide
CID 99626334
2-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]acetamide
CID 66703268

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide (CID 81365357) is N-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide is C[C@@H](NCC(=O)NCC1CC1)c1cccc(F)c1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide?
The InChIKey is QBXPKMQOAHLWOB-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10(12-3-2-4-13(15)7-12)16-9-14(18)17-8-11-5-6-11/h2-4,7,10-11,16H,5-6,8-9H2,1H3,(H,17,18)/t10-/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide?
N-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide has a molecular weight of 250.32 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 81365357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).