N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluorobenzoyl)amino]-4-methylbenzamide

C23H22FN3O2 — CID 23768618

IUPACN-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluorobenzoyl)amino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(CN)cc2)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C23H22FN3O2/c1-15-5-10-19(22(28)26-14-17-8-6-16(13-25)7-9-17)12-21(15)27-23(29)18-3-2-4-20(24)11-18/h2-12H,13-14,25H2,1H3,(H,26,28)(H,27,29)
InChIKeyXMJSMNCIAGHKTI-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.78
Rot. Bonds6

About N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluorobenzoyl)amino]-4-methylbenzamide

N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluorobenzoyl)amino]-4-methylbenzamide (PubChem CID 23768618) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluorobenzoyl)amino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluorobenzoyl)amino]-4-methylbenzamide
PubChem CID23768618
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluorobenzoyl)amino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(CN)cc2)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C23H22FN3O2/c1-15-5-10-19(22(28)26-14-17-8-6-16(13-25)7-9-17)12-21(15)27-23(29)18-3-2-4-20(24)11-18/h2-12H,13-14,25H2,1H3,(H,26,28)(H,27,29)
InChIKeyXMJSMNCIAGHKTI-UHFFFAOYSA-N
XLogP3.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide
CID 23968860
N-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide
CID 62104316
N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide
CID 54936495
N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide
CID 23906553
N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methylphenyl]-1-benzothiophene-2-carboxamide
CID 23794603
N-[5-(aminomethyl)-2-methylphenyl]-3,5-difluorobenzamide
CID 62104670
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide
CID 134039269
3-N-(4-chloro-2-methylphenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054705
N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide
CID 62103960
3-fluoro-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 4155198
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 28970018
N-(5-amino-2,4-dimethylphenyl)-3-fluorobenzamide
CID 104757128

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluorobenzoyl)amino]-4-methylbenzamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluorobenzoyl)amino]-4-methylbenzamide (CID 23768618) is N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluorobenzoyl)amino]-4-methylbenzamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluorobenzoyl)amino]-4-methylbenzamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluorobenzoyl)amino]-4-methylbenzamide is Cc1ccc(C(=O)NCc2ccc(CN)cc2)cc1NC(=O)c1cccc(F)c1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluorobenzoyl)amino]-4-methylbenzamide?
The InChIKey is XMJSMNCIAGHKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-15-5-10-19(22(28)26-14-17-8-6-16(13-25)7-9-17)12-21(15)27-23(29)18-3-2-4-20(24)11-18/h2-12H,13-14,25H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluorobenzoyl)amino]-4-methylbenzamide?
N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluorobenzoyl)amino]-4-methylbenzamide has a molecular weight of 391.45 g/mol, XLogP of 3.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluorobenzoyl)amino]-4-methylbenzamide is sourced from PubChem (CID 23768618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).