N-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-2-fluorobenzamide

C21H17ClFN3O3 — CID 141024299

IUPACN-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-2-fluorobenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C21H17ClFN3O3/c1-29-19-11-6-13(22)12-18(19)26-21(28)25-15-9-7-14(8-10-15)24-20(27)16-4-2-3-5-17(16)23/h2-12H,1H3,(H,24,27)(H2,25,26,28)
InChIKeyRFXMQHBBPIVQKX-UHFFFAOYSA-N
MW413.84 g/mol
LogP5.38
Rot. Bonds5

About N-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-2-fluorobenzamide

N-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-2-fluorobenzamide (PubChem CID 141024299) has the molecular formula C21H17ClFN3O3 and a molecular weight of 413.84 g/mol. Its IUPAC name is N-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-2-fluorobenzamide
PubChem CID141024299
Molecular FormulaC21H17ClFN3O3
Molecular Weight413.84 g/mol
Exact Mass413.09
IUPAC NameN-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-2-fluorobenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C21H17ClFN3O3/c1-29-19-11-6-13(22)12-18(19)26-21(28)25-15-9-7-14(8-10-15)24-20(27)16-4-2-3-5-17(16)23/h2-12H,1H3,(H,24,27)(H2,25,26,28)
InChIKeyRFXMQHBBPIVQKX-UHFFFAOYSA-N
XLogP5.38
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.84
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-N-[5-[(2-hydroxybenzoyl)amino]-2-methoxyphenyl]benzamide
CID 52701764
N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
CID 836294
2-fluoro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
CID 46487214
N-(5-chloro-2-fluorophenyl)-2-methoxybenzamide
CID 8759235
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea
CID 108875489
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2602043
4-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 91077574
N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide
CID 2086520
N-(5-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzamide
CID 79770618
4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 26688337
2-benzoyl-N-(5-chloro-2-methoxyphenyl)benzamide
CID 16624498

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-2-fluorobenzamide (CID 141024299) is N-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-2-fluorobenzamide is COc1ccc(Cl)cc1NC(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1.
What is the InChIKey of N-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-2-fluorobenzamide?
The InChIKey is RFXMQHBBPIVQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O3/c1-29-19-11-6-13(22)12-18(19)26-21(28)25-15-9-7-14(8-10-15)24-20(27)16-4-2-3-5-17(16)23/h2-12H,1H3,(H,24,27)(H2,25,26,28).
What are the key properties of N-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-2-fluorobenzamide?
N-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-2-fluorobenzamide has a molecular weight of 413.84 g/mol, XLogP of 5.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-2-fluorobenzamide is sourced from PubChem (CID 141024299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).