N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide

C14H18ClFN2O — CID 130299685

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide
SMILESO=C(CNCC1CCC1)NCc1cccc(Cl)c1F
InChIInChI=1S/C14H18ClFN2O/c15-12-6-2-5-11(14(12)16)8-18-13(19)9-17-7-10-3-1-4-10/h2,5-6,10,17H,1,3-4,7-9H2,(H,18,19)
InChIKeyKMFOUOVMHNFIGL-UHFFFAOYSA-N
MW284.76 g/mol
LogP2.48
Rot. Bonds6

About N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide

N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide (PubChem CID 130299685) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide
PubChem CID130299685
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide
SMILESO=C(CNCC1CCC1)NCc1cccc(Cl)c1F
InChIInChI=1S/C14H18ClFN2O/c15-12-6-2-5-11(14(12)16)8-18-13(19)9-17-7-10-3-1-4-10/h2,5-6,10,17H,1,3-4,7-9H2,(H,18,19)
InChIKeyKMFOUOVMHNFIGL-UHFFFAOYSA-N
XLogP2.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopentylamino)acetamide
CID 130300052
N-[(3-chloro-2-fluorophenyl)methyl]-2-[cyclobutyl(formyl)amino]acetamide
CID 166957676
N-[(3-chloro-2-fluorophenyl)methyl]-2-(1-cyclopropylethylamino)acetamide
CID 130299585
N-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide
CID 115695815
N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119800229
N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(3S)-oxolan-3-yl]amino]acetamide
CID 130299984
N-benzyl-2-(cyclobutylmethylamino)acetamide
CID 43298629
trans-(1R,2R)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 139576412
2-[(3-chloro-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115695765
2-(cyclopropylmethylamino)-N-[(2-phenoxyphenyl)methyl]acetamide
CID 119756337
N-[[2-(4-chlorophenyl)phenyl]methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119768238
(2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 129395726

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide (CID 130299685) is N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide is O=C(CNCC1CCC1)NCc1cccc(Cl)c1F.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide?
The InChIKey is KMFOUOVMHNFIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c15-12-6-2-5-11(14(12)16)8-18-13(19)9-17-7-10-3-1-4-10/h2,5-6,10,17H,1,3-4,7-9H2,(H,18,19).
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide?
N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide has a molecular weight of 284.76 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide is sourced from PubChem (CID 130299685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).