N-[2-[2-(aminomethyl)anilino]-2-oxoethyl]benzamide

C16H17N3O2 — CID 64882514

IUPACN-[2-[2-(aminomethyl)anilino]-2-oxoethyl]benzamide
SMILESNCc1ccccc1NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C16H17N3O2/c17-10-13-8-4-5-9-14(13)19-15(20)11-18-16(21)12-6-2-1-3-7-12/h1-9H,10-11,17H2,(H,18,21)(H,19,20)
InChIKeyGTPWKWKOISQAJA-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.51
Rot. Bonds5

About N-[2-[2-(aminomethyl)anilino]-2-oxoethyl]benzamide

N-[2-[2-(aminomethyl)anilino]-2-oxoethyl]benzamide (PubChem CID 64882514) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[2-[2-(aminomethyl)anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(aminomethyl)anilino]-2-oxoethyl]benzamide
PubChem CID64882514
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[2-[2-(aminomethyl)anilino]-2-oxoethyl]benzamide
SMILESNCc1ccccc1NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C16H17N3O2/c17-10-13-8-4-5-9-14(13)19-15(20)11-18-16(21)12-6-2-1-3-7-12/h1-9H,10-11,17H2,(H,18,21)(H,19,20)
InChIKeyGTPWKWKOISQAJA-UHFFFAOYSA-N
XLogP1.51
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26678506
4-(carbamoylamino)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26076497
N-[2-(2,3-difluoroanilino)-2-oxoethyl]benzamide
CID 155977265
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091
N-[2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]anilino]-2-oxoethyl]benzamide
CID 71800425
N-[2-(2-bromo-3-chloroanilino)-2-oxoethyl]benzamide
CID 103480014
N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide
CID 108925269
3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 27762230
N-[2-(2-aminoethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119384286
N-[2-(2-ethylanilino)-2-oxoethyl]naphthalene-2-carboxamide
CID 8699030
bis(2-aminoacetic acid);2-benzamidoacetic acid
CID 175296236
N-[2-(aminomethyl)phenyl]carbamoyl chloride
CID 142823786

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(aminomethyl)anilino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[2-(aminomethyl)anilino]-2-oxoethyl]benzamide (CID 64882514) is N-[2-[2-(aminomethyl)anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[2-(aminomethyl)anilino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[2-(aminomethyl)anilino]-2-oxoethyl]benzamide is NCc1ccccc1NC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[2-(aminomethyl)anilino]-2-oxoethyl]benzamide?
The InChIKey is GTPWKWKOISQAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-10-13-8-4-5-9-14(13)19-15(20)11-18-16(21)12-6-2-1-3-7-12/h1-9H,10-11,17H2,(H,18,21)(H,19,20).
What are the key properties of N-[2-[2-(aminomethyl)anilino]-2-oxoethyl]benzamide?
N-[2-[2-(aminomethyl)anilino]-2-oxoethyl]benzamide has a molecular weight of 283.33 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(aminomethyl)anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 64882514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).