N-[4-(2-aminoethylamino)-3-fluorophenyl]-N-methyl-4-propoxybenzamide

C19H24FN3O2 — CID 142931334

IUPACN-[4-(2-aminoethylamino)-3-fluorophenyl]-N-methyl-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N(C)c2ccc(NCCN)c(F)c2)cc1
InChIInChI=1S/C19H24FN3O2/c1-3-12-25-16-7-4-14(5-8-16)19(24)23(2)15-6-9-18(17(20)13-15)22-11-10-21/h4-9,13,22H,3,10-12,21H2,1-2H3
InChIKeyNPZVBAQMUSGMQG-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.26
Rot. Bonds8

About N-[4-(2-aminoethylamino)-3-fluorophenyl]-N-methyl-4-propoxybenzamide

N-[4-(2-aminoethylamino)-3-fluorophenyl]-N-methyl-4-propoxybenzamide (PubChem CID 142931334) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[4-(2-aminoethylamino)-3-fluorophenyl]-N-methyl-4-propoxybenzamide.

Molecular Properties

Compound NameN-[4-(2-aminoethylamino)-3-fluorophenyl]-N-methyl-4-propoxybenzamide
PubChem CID142931334
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC NameN-[4-(2-aminoethylamino)-3-fluorophenyl]-N-methyl-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N(C)c2ccc(NCCN)c(F)c2)cc1
InChIInChI=1S/C19H24FN3O2/c1-3-12-25-16-7-4-14(5-8-16)19(24)23(2)15-6-9-18(17(20)13-15)22-11-10-21/h4-9,13,22H,3,10-12,21H2,1-2H3
InChIKeyNPZVBAQMUSGMQG-UHFFFAOYSA-N
XLogP3.26
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-4-propoxybenzamide
CID 2295357
3-amino-N-methyl-N-(4-propoxyphenyl)propanamide
CID 98784032
tert-butyl N-[1-[4-[(4-butoxybenzoyl)-methylamino]-2-fluorophenyl]pyrrolidin-3-yl]-N-methylcarbamate;molecular hydrogen
CID 159589236
4-butoxy-N-(2,4-difluorophenyl)-N-methylbenzamide
CID 71458389
4-butoxy-N-[4-[3-[3-(dimethylamino)propyl-methylamino]pyrrolidin-1-yl]-3-fluorophenyl]-N-methylbenzamide
CID 58867215
N-(3-aminophenyl)-N-methyl-3-propoxybenzamide
CID 62918808
4-butoxy-N-[3-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]-N-methylbenzamide
CID 58866799
N'-(2-fluorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
CID 54810146
methyl 2-[methyl-(4-propoxybenzoyl)amino]acetate
CID 43407552
N-[4-[3-[(1-amino-1-hydroxy-4-methylpentan-2-yl)amino]pyrrolidin-1-yl]-3-fluorophenyl]-4-butoxy-N-methylbenzamide
CID 58867688
N-[4-[(3aR,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-3-fluorophenyl]-4-butoxy-N-methylbenzamide
CID 59558080
3-fluoro-4-(2-phenoxyethylamino)benzoic acid
CID 62710818

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethylamino)-3-fluorophenyl]-N-methyl-4-propoxybenzamide?
The IUPAC name of N-[4-(2-aminoethylamino)-3-fluorophenyl]-N-methyl-4-propoxybenzamide (CID 142931334) is N-[4-(2-aminoethylamino)-3-fluorophenyl]-N-methyl-4-propoxybenzamide.
What is the SMILES notation for N-[4-(2-aminoethylamino)-3-fluorophenyl]-N-methyl-4-propoxybenzamide?
The canonical SMILES for N-[4-(2-aminoethylamino)-3-fluorophenyl]-N-methyl-4-propoxybenzamide is CCCOc1ccc(C(=O)N(C)c2ccc(NCCN)c(F)c2)cc1.
What is the InChIKey of N-[4-(2-aminoethylamino)-3-fluorophenyl]-N-methyl-4-propoxybenzamide?
The InChIKey is NPZVBAQMUSGMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-3-12-25-16-7-4-14(5-8-16)19(24)23(2)15-6-9-18(17(20)13-15)22-11-10-21/h4-9,13,22H,3,10-12,21H2,1-2H3.
What are the key properties of N-[4-(2-aminoethylamino)-3-fluorophenyl]-N-methyl-4-propoxybenzamide?
N-[4-(2-aminoethylamino)-3-fluorophenyl]-N-methyl-4-propoxybenzamide has a molecular weight of 345.42 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethylamino)-3-fluorophenyl]-N-methyl-4-propoxybenzamide is sourced from PubChem (CID 142931334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).