N-[5-[(4-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]formamide

C19H18FN3O — CID 144916408

IUPACN-[5-[(4-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]formamide
SMILESN#Cc1ccc(C(NCC2CC2)c2ccc(F)c(NC=O)c2)cc1
InChIInChI=1S/C19H18FN3O/c20-17-8-7-16(9-18(17)23-12-24)19(22-11-14-1-2-14)15-5-3-13(10-21)4-6-15/h3-9,12,14,19,22H,1-2,11H2,(H,23,24)
InChIKeyDTGQGPGBRQPZDZ-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.35
Rot. Bonds7

About N-[5-[(4-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]formamide

N-[5-[(4-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]formamide (PubChem CID 144916408) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is N-[5-[(4-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]formamide.

Molecular Properties

Compound NameN-[5-[(4-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]formamide
PubChem CID144916408
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC NameN-[5-[(4-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]formamide
SMILESN#Cc1ccc(C(NCC2CC2)c2ccc(F)c(NC=O)c2)cc1
InChIInChI=1S/C19H18FN3O/c20-17-8-7-16(9-18(17)23-12-24)19(22-11-14-1-2-14)15-5-3-13(10-21)4-6-15/h3-9,12,14,19,22H,1-2,11H2,(H,23,24)
InChIKeyDTGQGPGBRQPZDZ-UHFFFAOYSA-N
XLogP3.35
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[5-[(3-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]formamide;ethane;pyrrolidine
CID 145286606
N-[5-[(3-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]-1-(3-formamidophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 175579698
5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluoroaniline
CID 118355580
3-(1-aminoethenyl)-4-[(Z)-prop-1-enyl]-N-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]aniline;N-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]formamide
CID 144917019
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[5-[(3-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 137359581
3-cyano-1-[3-(cyanomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]pyrazole-5-carboxamide
CID 126689613
tert-butyl N-[[3-[5-[[5-[(S)-(3-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate
CID 155092151
methyl 2-(cyclopropylmethylamino)-2-(3,4-difluorophenyl)acetate
CID 54894261
4-[1-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]ethyl]benzonitrile
CID 60760036
3-fluoro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzonitrile
CID 106133058
4-[1-[(3,4-difluorophenyl)methylamino]ethyl]benzonitrile
CID 43433850
4-[4-[(E)-4-(cyclopropylmethylamino)but-2-enoxy]-3-fluorobenzoyl]benzonitrile
CID 70162171

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]formamide?
The IUPAC name of N-[5-[(4-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]formamide (CID 144916408) is N-[5-[(4-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]formamide.
What is the SMILES notation for N-[5-[(4-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]formamide?
The canonical SMILES for N-[5-[(4-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]formamide is N#Cc1ccc(C(NCC2CC2)c2ccc(F)c(NC=O)c2)cc1.
What is the InChIKey of N-[5-[(4-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]formamide?
The InChIKey is DTGQGPGBRQPZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-17-8-7-16(9-18(17)23-12-24)19(22-11-14-1-2-14)15-5-3-13(10-21)4-6-15/h3-9,12,14,19,22H,1-2,11H2,(H,23,24).
What are the key properties of N-[5-[(4-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]formamide?
N-[5-[(4-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]formamide has a molecular weight of 323.37 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]formamide is sourced from PubChem (CID 144916408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).