N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide

C14H18F2N2O — CID 115598132

IUPACN-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)N1CCCCCC1
InChIInChI=1S/C14H18F2N2O/c15-12-6-5-11(13(16)9-12)10-17-14(19)18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10H2,(H,17,19)
InChIKeyUIZOWIOKMDRJHX-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.05
Rot. Bonds2

About N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide

N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide (PubChem CID 115598132) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide
PubChem CID115598132
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)N1CCCCCC1
InChIInChI=1S/C14H18F2N2O/c15-12-6-5-11(13(16)9-12)10-17-14(19)18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10H2,(H,17,19)
InChIKeyUIZOWIOKMDRJHX-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-1-carboxamide
CID 79155872
N-[(2,4-difluorophenyl)methyl]-3-methyl-3,9-diazaspiro[5.6]dodecane-9-carboxamide
CID 119065239
N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 108897499
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 143615163
1-[(2,5-difluorophenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63791734
2-[(2,4-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 62050086
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
2-[1-[(2,4-difluorophenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 62227398
1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide
CID 62228717
N-cyclopropylacetamide;N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide
CID 170731606
N-[(2,4-difluorophenyl)methyl]-4-methylpiperazine-2-carboxamide
CID 115178001
N-[(2,4-difluorophenyl)methyl]-2-[(1S)-1-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 95054661

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide (CID 115598132) is N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide is O=C(NCc1ccc(F)cc1F)N1CCCCCC1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide?
The InChIKey is UIZOWIOKMDRJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c15-12-6-5-11(13(16)9-12)10-17-14(19)18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10H2,(H,17,19).
What are the key properties of N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide?
N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide is sourced from PubChem (CID 115598132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).