N-[4-chloro-2-[[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]acetamide

C17H19ClN4O2 — CID 3780295

IUPACN-[4-chloro-2-[[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)cc1C(NCC(=O)NN)c1ccccc1
InChIInChI=1S/C17H19ClN4O2/c1-11(23)21-15-8-7-13(18)9-14(15)17(20-10-16(24)22-19)12-5-3-2-4-6-12/h2-9,17,20H,10,19H2,1H3,(H,21,23)(H,22,24)
InChIKeyFQIHYXDZYMOYDC-UHFFFAOYSA-N
MW346.82 g/mol
LogP1.97
Rot. Bonds6

About N-[4-chloro-2-[[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]acetamide

N-[4-chloro-2-[[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]acetamide (PubChem CID 3780295) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is N-[4-chloro-2-[[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-[[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]acetamide
PubChem CID3780295
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC NameN-[4-chloro-2-[[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)cc1C(NCC(=O)NN)c1ccccc1
InChIInChI=1S/C17H19ClN4O2/c1-11(23)21-15-8-7-13(18)9-14(15)17(20-10-16(24)22-19)12-5-3-2-4-6-12/h2-9,17,20H,10,19H2,1H3,(H,21,23)(H,22,24)
InChIKeyFQIHYXDZYMOYDC-UHFFFAOYSA-N
XLogP1.97
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-chloro-2-[(S)-[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]benzamide
CID 1162893
N-[4-chloro-2-[(R)-[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]benzamide
CID 1162895
methyl 2-[[(R)-(2-acetamido-5-chlorophenyl)-phenylmethyl]amino]acetate
CID 788320
N-[4-bromo-2-[(S)-[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]-4-methoxybenzamide
CID 1162899
methyl 2-[[(S)-(2-acetamido-5-bromophenyl)-phenylmethyl]amino]acetate
CID 1373152
methyl 2-[[(S)-[5-chloro-2-[(2,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate
CID 124740111
methyl 2-[[(R)-[5-chloro-2-[(2,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate
CID 124740110
ethyl 2-[[(2-amino-5-chlorophenyl)-phenylmethyl]amino]acetate
CID 13174365
[(S)-[5-chloro-2-(methylamino)phenyl]-phenylmethyl]urea
CID 867520
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide
CID 50882557
N-(5-chloro-2-fluorophenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60537256
N-[4-bromo-2-[[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]-3-morpholin-4-ylpropanamide
CID 2870331

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]acetamide?
The IUPAC name of N-[4-chloro-2-[[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]acetamide (CID 3780295) is N-[4-chloro-2-[[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-chloro-2-[[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]acetamide?
The canonical SMILES for N-[4-chloro-2-[[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]acetamide is CC(=O)Nc1ccc(Cl)cc1C(NCC(=O)NN)c1ccccc1.
What is the InChIKey of N-[4-chloro-2-[[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]acetamide?
The InChIKey is FQIHYXDZYMOYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-11(23)21-15-8-7-13(18)9-14(15)17(20-10-16(24)22-19)12-5-3-2-4-6-12/h2-9,17,20H,10,19H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-chloro-2-[[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]acetamide?
N-[4-chloro-2-[[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]acetamide has a molecular weight of 346.82 g/mol, XLogP of 1.97, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]acetamide is sourced from PubChem (CID 3780295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).