N-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-difluorobenzamide

C19H17F3N2O2 — CID 29304745

IUPACN-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
SMILESO=C(NCC(=O)N(Cc1ccc(F)cc1)C1CC1)c1ccc(F)cc1F
InChIInChI=1S/C19H17F3N2O2/c20-13-3-1-12(2-4-13)11-24(15-6-7-15)18(25)10-23-19(26)16-8-5-14(21)9-17(16)22/h1-5,8-9,15H,6-7,10-11H2,(H,23,26)
InChIKeyBJMSMKYGJVRPNP-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.02
Rot. Bonds6

About N-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-difluorobenzamide

N-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-difluorobenzamide (PubChem CID 29304745) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is N-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
PubChem CID29304745
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC NameN-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
SMILESO=C(NCC(=O)N(Cc1ccc(F)cc1)C1CC1)c1ccc(F)cc1F
InChIInChI=1S/C19H17F3N2O2/c20-13-3-1-12(2-4-13)11-24(15-6-7-15)18(25)10-23-19(26)16-8-5-14(21)9-17(16)22/h1-5,8-9,15H,6-7,10-11H2,(H,23,26)
InChIKeyBJMSMKYGJVRPNP-UHFFFAOYSA-N
XLogP3.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 51220458
N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 9479093
N-[2-(dimethylamino)-2-oxoethyl]-2,4-difluorobenzamide
CID 9480520
N-cyclopropyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 33036704
N-[2-[[4-(dimethylcarbamoyl)phenyl]methyl-ethylamino]-2-oxoethyl]-2,4-difluorobenzamide
CID 56510929
2-anilino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
CID 119693145
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 79282506
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79285198
2,4-difluoro-N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 29481344
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide
CID 119688726
2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 51192745
N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 78838061

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-difluorobenzamide (CID 29304745) is N-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-difluorobenzamide is O=C(NCC(=O)N(Cc1ccc(F)cc1)C1CC1)c1ccc(F)cc1F.
What is the InChIKey of N-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-difluorobenzamide?
The InChIKey is BJMSMKYGJVRPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c20-13-3-1-12(2-4-13)11-24(15-6-7-15)18(25)10-23-19(26)16-8-5-14(21)9-17(16)22/h1-5,8-9,15H,6-7,10-11H2,(H,23,26).
What are the key properties of N-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-difluorobenzamide?
N-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-difluorobenzamide has a molecular weight of 362.35 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 29304745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).