N-(2-aminoethyl)-2-[(3,5-difluorophenyl)carbamoylamino]-4-methoxybenzamide

C17H18F2N4O3 — CID 156854286

IUPACN-(2-aminoethyl)-2-[(3,5-difluorophenyl)carbamoylamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN)c(NC(=O)Nc2cc(F)cc(F)c2)c1
InChIInChI=1S/C17H18F2N4O3/c1-26-13-2-3-14(16(24)21-5-4-20)15(9-13)23-17(25)22-12-7-10(18)6-11(19)8-12/h2-3,6-9H,4-5,20H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyPJSQRZZUZHHTTC-UHFFFAOYSA-N
MW364.35 g/mol
LogP2.31
Rot. Bonds6

About N-(2-aminoethyl)-2-[(3,5-difluorophenyl)carbamoylamino]-4-methoxybenzamide

N-(2-aminoethyl)-2-[(3,5-difluorophenyl)carbamoylamino]-4-methoxybenzamide (PubChem CID 156854286) has the molecular formula C17H18F2N4O3 and a molecular weight of 364.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[(3,5-difluorophenyl)carbamoylamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[(3,5-difluorophenyl)carbamoylamino]-4-methoxybenzamide
PubChem CID156854286
Molecular FormulaC17H18F2N4O3
Molecular Weight364.35 g/mol
Exact Mass364.13
IUPAC NameN-(2-aminoethyl)-2-[(3,5-difluorophenyl)carbamoylamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN)c(NC(=O)Nc2cc(F)cc(F)c2)c1
InChIInChI=1S/C17H18F2N4O3/c1-26-13-2-3-14(16(24)21-5-4-20)15(9-13)23-17(25)22-12-7-10(18)6-11(19)8-12/h2-3,6-9H,4-5,20H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyPJSQRZZUZHHTTC-UHFFFAOYSA-N
XLogP2.31
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 52.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-4-chloro-2-[(3,5-difluorophenyl)carbamoylamino]benzamide
CID 156854312
N-(2-aminoethyl)-4-chloro-2-[(3-fluorophenyl)carbamoylamino]benzamide
CID 156854090
2-[(3-fluorophenyl)carbamoylamino]-4-methoxybenzamide
CID 156854115
N-(2-aminoethyl)-4-methoxy-2-methylbenzamide;hydrochloride
CID 119384390
N-(2-aminoethyl)-4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
CID 156854074
2-[(3,5-difluorophenyl)carbamoylamino]-N-propylbenzamide
CID 166747501
N-(2-aminoethyl)-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
CID 156854171
1-[3-(2-aminoethylamino)-5-methoxyphenyl]-3-[5-fluoro-2-(hydroxymethyl)phenyl]urea
CID 156854477
N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
CID 102883572
N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide
CID 119385341
2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide
CID 115412431
2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 80503131

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[(3,5-difluorophenyl)carbamoylamino]-4-methoxybenzamide?
The IUPAC name of N-(2-aminoethyl)-2-[(3,5-difluorophenyl)carbamoylamino]-4-methoxybenzamide (CID 156854286) is N-(2-aminoethyl)-2-[(3,5-difluorophenyl)carbamoylamino]-4-methoxybenzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[(3,5-difluorophenyl)carbamoylamino]-4-methoxybenzamide?
The canonical SMILES for N-(2-aminoethyl)-2-[(3,5-difluorophenyl)carbamoylamino]-4-methoxybenzamide is COc1ccc(C(=O)NCCN)c(NC(=O)Nc2cc(F)cc(F)c2)c1.
What is the InChIKey of N-(2-aminoethyl)-2-[(3,5-difluorophenyl)carbamoylamino]-4-methoxybenzamide?
The InChIKey is PJSQRZZUZHHTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O3/c1-26-13-2-3-14(16(24)21-5-4-20)15(9-13)23-17(25)22-12-7-10(18)6-11(19)8-12/h2-3,6-9H,4-5,20H2,1H3,(H,21,24)(H2,22,23,25).
What are the key properties of N-(2-aminoethyl)-2-[(3,5-difluorophenyl)carbamoylamino]-4-methoxybenzamide?
N-(2-aminoethyl)-2-[(3,5-difluorophenyl)carbamoylamino]-4-methoxybenzamide has a molecular weight of 364.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[(3,5-difluorophenyl)carbamoylamino]-4-methoxybenzamide is sourced from PubChem (CID 156854286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).