N-(2-amino-5-fluorophenyl)-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzamide

C19H22FN3O2 — CID 167815058

IUPACN-(2-amino-5-fluorophenyl)-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzamide
SMILESCOCC1CCN(c2ccc(C(=O)Nc3cc(F)ccc3N)cc2)C1
InChIInChI=1S/C19H22FN3O2/c1-25-12-13-8-9-23(11-13)16-5-2-14(3-6-16)19(24)22-18-10-15(20)4-7-17(18)21/h2-7,10,13H,8-9,11-12,21H2,1H3,(H,22,24)
InChIKeySGGJUHUGFCYDOW-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.13
Rot. Bonds5

About N-(2-amino-5-fluorophenyl)-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzamide

N-(2-amino-5-fluorophenyl)-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzamide (PubChem CID 167815058) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzamide
PubChem CID167815058
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-(2-amino-5-fluorophenyl)-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzamide
SMILESCOCC1CCN(c2ccc(C(=O)Nc3cc(F)ccc3N)cc2)C1
InChIInChI=1S/C19H22FN3O2/c1-25-12-13-8-9-23(11-13)16-5-2-14(3-6-16)19(24)22-18-10-15(20)4-7-17(18)21/h2-7,10,13H,8-9,11-12,21H2,1H3,(H,22,24)
InChIKeySGGJUHUGFCYDOW-UHFFFAOYSA-N
XLogP3.13
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 167931145
methyl 2-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]benzoate
CID 64598858
N-(2-amino-5-phenylphenyl)-4-[(3S)-3-(3,3,3-trifluoropropyl)pyrrolidin-1-yl]benzamide
CID 159822265
N-(2-amino-5-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide
CID 59737562
3-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbenzamide
CID 82999420
N-(2-amino-5-phenylphenyl)-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide
CID 59737305
2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]ethylcarbamic acid
CID 67396623
3-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzamide
CID 64571235
5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]aniline
CID 63971118
[(3S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl] carbamate
CID 69032775
4-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-methylbenzamide
CID 129369399
N-(2-amino-5-methylphenyl)-4-(4-methylpiperazin-1-yl)benzamide
CID 59737553

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzamide (CID 167815058) is N-(2-amino-5-fluorophenyl)-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzamide is COCC1CCN(c2ccc(C(=O)Nc3cc(F)ccc3N)cc2)C1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzamide?
The InChIKey is SGGJUHUGFCYDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-25-12-13-8-9-23(11-13)16-5-2-14(3-6-16)19(24)22-18-10-15(20)4-7-17(18)21/h2-7,10,13H,8-9,11-12,21H2,1H3,(H,22,24).
What are the key properties of N-(2-amino-5-fluorophenyl)-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzamide?
N-(2-amino-5-fluorophenyl)-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzamide has a molecular weight of 343.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzamide is sourced from PubChem (CID 167815058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).