2-[[(1S)-1-(4-bromo-2-fluorophenyl)ethyl]amino]-N-(cyclopropylmethyl)acetamide

C14H18BrFN2O — CID 99626334

IUPAC2-[[(1S)-1-(4-bromo-2-fluorophenyl)ethyl]amino]-N-(cyclopropylmethyl)acetamide
SMILESC[C@H](NCC(=O)NCC1CC1)c1ccc(Br)cc1F
InChIInChI=1S/C14H18BrFN2O/c1-9(12-5-4-11(15)6-13(12)16)17-8-14(19)18-7-10-2-3-10/h4-6,9-10,17H,2-3,7-8H2,1H3,(H,18,19)/t9-/m0/s1
InChIKeyDCFXWGZVGRFHQD-VIFPVBQESA-N
MW329.21 g/mol
LogP2.77
Rot. Bonds6

About 2-[[(1S)-1-(4-bromo-2-fluorophenyl)ethyl]amino]-N-(cyclopropylmethyl)acetamide

2-[[(1S)-1-(4-bromo-2-fluorophenyl)ethyl]amino]-N-(cyclopropylmethyl)acetamide (PubChem CID 99626334) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-bromo-2-fluorophenyl)ethyl]amino]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-bromo-2-fluorophenyl)ethyl]amino]-N-(cyclopropylmethyl)acetamide
PubChem CID99626334
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC Name2-[[(1S)-1-(4-bromo-2-fluorophenyl)ethyl]amino]-N-(cyclopropylmethyl)acetamide
SMILESC[C@H](NCC(=O)NCC1CC1)c1ccc(Br)cc1F
InChIInChI=1S/C14H18BrFN2O/c1-9(12-5-4-11(15)6-13(12)16)17-8-14(19)18-7-10-2-3-10/h4-6,9-10,17H,2-3,7-8H2,1H3,(H,18,19)/t9-/m0/s1
InChIKeyDCFXWGZVGRFHQD-VIFPVBQESA-N
XLogP2.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-bromo-2-fluorophenyl)ethylamino]-N-ethylacetamide
CID 82963648
1-(4-bromo-2-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 82963551
N-(cyclopropylmethyl)-2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]acetamide
CID 81348477
N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369741
N-(4-bromo-2-fluorophenyl)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369736
N-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81365357
2-[(5-bromo-2-fluorophenyl)methylamino]-N-(cyclopropylmethyl)acetamide
CID 60976730
2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 81302054
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369318
1-(4-bromo-2-fluorophenyl)-N-(cyclohex-3-en-1-ylmethyl)ethanamine
CID 82964326
N-(cyclopropylmethyl)-2-[1-(4-methylphenyl)ethylamino]acetamide
CID 54963386
(3S)-3-(4-bromo-2-fluorophenyl)-4-(cyclopropylmethylamino)butan-2-ol
CID 163902812

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-bromo-2-fluorophenyl)ethyl]amino]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(4-bromo-2-fluorophenyl)ethyl]amino]-N-(cyclopropylmethyl)acetamide (CID 99626334) is 2-[[(1S)-1-(4-bromo-2-fluorophenyl)ethyl]amino]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-bromo-2-fluorophenyl)ethyl]amino]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(4-bromo-2-fluorophenyl)ethyl]amino]-N-(cyclopropylmethyl)acetamide is C[C@H](NCC(=O)NCC1CC1)c1ccc(Br)cc1F.
What is the InChIKey of 2-[[(1S)-1-(4-bromo-2-fluorophenyl)ethyl]amino]-N-(cyclopropylmethyl)acetamide?
The InChIKey is DCFXWGZVGRFHQD-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18BrFN2O/c1-9(12-5-4-11(15)6-13(12)16)17-8-14(19)18-7-10-2-3-10/h4-6,9-10,17H,2-3,7-8H2,1H3,(H,18,19)/t9-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-bromo-2-fluorophenyl)ethyl]amino]-N-(cyclopropylmethyl)acetamide?
2-[[(1S)-1-(4-bromo-2-fluorophenyl)ethyl]amino]-N-(cyclopropylmethyl)acetamide has a molecular weight of 329.21 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-bromo-2-fluorophenyl)ethyl]amino]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 99626334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).