N-(2-amino-4-fluorophenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide

C23H20FN3O2 — CID 139325532

IUPACN-(2-amino-4-fluorophenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide
SMILESNc1cc(F)ccc1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C23H20FN3O2/c24-16-8-11-21(20(25)12-16)27-22(28)15-6-9-17(10-7-15)26-23(29)19-13-18(19)14-4-2-1-3-5-14/h1-12,18-19H,13,25H2,(H,26,29)(H,27,28)/t18-,19-/m1/s1
InChIKeyUVUXWUYEHXADCJ-RTBURBONSA-N
MW389.43 g/mol
LogP4.40
Rot. Bonds5

About N-(2-amino-4-fluorophenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide

N-(2-amino-4-fluorophenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide (PubChem CID 139325532) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide
PubChem CID139325532
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC NameN-(2-amino-4-fluorophenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide
SMILESNc1cc(F)ccc1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C23H20FN3O2/c24-16-8-11-21(20(25)12-16)27-22(28)15-6-9-17(10-7-15)26-23(29)19-13-18(19)14-4-2-1-3-5-14/h1-12,18-19H,13,25H2,(H,26,29)(H,27,28)/t18-,19-/m1/s1
InChIKeyUVUXWUYEHXADCJ-RTBURBONSA-N
XLogP4.40
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-fluorophenyl)-4-[[(1R)-2-phenylcyclopropanecarbonyl]amino]benzamide
CID 139325533
N-(2-amino-4-methylphenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide
CID 157443710
trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 118736163
N-(2-bromo-4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 78971301
N-(4-acetylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 4205798
cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
CID 93010782
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
4-benzamido-N-(2-chloro-4-fluorophenyl)benzamide
CID 30705488
2-phenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide
CID 631039
cis-(1R,2S)-2-(3-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 95178508
N-(2-amino-4-fluorophenyl)pyridine-4-carboxamide
CID 16772506
N-(2,4-difluorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 38764784

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide (CID 139325532) is N-(2-amino-4-fluorophenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide is Nc1cc(F)ccc1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide?
The InChIKey is UVUXWUYEHXADCJ-RTBURBONSA-N. The full InChI is InChI=1S/C23H20FN3O2/c24-16-8-11-21(20(25)12-16)27-22(28)15-6-9-17(10-7-15)26-23(29)19-13-18(19)14-4-2-1-3-5-14/h1-12,18-19H,13,25H2,(H,26,29)(H,27,28)/t18-,19-/m1/s1.
What are the key properties of N-(2-amino-4-fluorophenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide?
N-(2-amino-4-fluorophenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide has a molecular weight of 389.43 g/mol, XLogP of 4.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 139325532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).