N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluorobenzamide

C19H20ClFN4O — CID 146371153

IUPACN-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluorobenzamide
SMILESCc1cc(CNC(=O)c2ccc(F)c(CNC3=NCCN3)c2)ccc1Cl
InChIInChI=1S/C19H20ClFN4O/c1-12-8-13(2-4-16(12)20)10-24-18(26)14-3-5-17(21)15(9-14)11-25-19-22-6-7-23-19/h2-5,8-9H,6-7,10-11H2,1H3,(H,24,26)(H2,22,23,25)
InChIKeyDMFIRDHYJGFZMK-UHFFFAOYSA-N
MW374.85 g/mol
LogP2.77
Rot. Bonds5

About N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluorobenzamide

N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluorobenzamide (PubChem CID 146371153) has the molecular formula C19H20ClFN4O and a molecular weight of 374.85 g/mol. Its IUPAC name is N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluorobenzamide
PubChem CID146371153
Molecular FormulaC19H20ClFN4O
Molecular Weight374.85 g/mol
Exact Mass374.13
IUPAC NameN-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluorobenzamide
SMILESCc1cc(CNC(=O)c2ccc(F)c(CNC3=NCCN3)c2)ccc1Cl
InChIInChI=1S/C19H20ClFN4O/c1-12-8-13(2-4-16(12)20)10-24-18(26)14-3-5-17(21)15(9-14)11-25-19-22-6-7-23-19/h2-5,8-9H,6-7,10-11H2,1H3,(H,24,26)(H2,22,23,25)
InChIKeyDMFIRDHYJGFZMK-UHFFFAOYSA-N
XLogP2.77
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluorobenzamide?
The IUPAC name of N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluorobenzamide (CID 146371153) is N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluorobenzamide?
The canonical SMILES for N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluorobenzamide is Cc1cc(CNC(=O)c2ccc(F)c(CNC3=NCCN3)c2)ccc1Cl.
What is the InChIKey of N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluorobenzamide?
The InChIKey is DMFIRDHYJGFZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O/c1-12-8-13(2-4-16(12)20)10-24-18(26)14-3-5-17(21)15(9-14)11-25-19-22-6-7-23-19/h2-5,8-9H,6-7,10-11H2,1H3,(H,24,26)(H2,22,23,25).
What are the key properties of N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluorobenzamide?
N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluorobenzamide has a molecular weight of 374.85 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluorobenzamide is sourced from PubChem (CID 146371153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).