methyl 2-[[(R)-(2-acetamido-5-chlorophenyl)-phenylmethyl]amino]acetate

C18H19ClN2O3 — CID 788320

IUPACmethyl 2-[[(R)-(2-acetamido-5-chlorophenyl)-phenylmethyl]amino]acetate
SMILESCOC(=O)CN[C@H](c1ccccc1)c1cc(Cl)ccc1NC(C)=O
InChIInChI=1S/C18H19ClN2O3/c1-12(22)21-16-9-8-14(19)10-15(16)18(20-11-17(23)24-2)13-6-4-3-5-7-13/h3-10,18,20H,11H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyMVODYZGXMYGHDS-GOSISDBHSA-N
MW346.81 g/mol
LogP3.15
Rot. Bonds6

About methyl 2-[[(R)-(2-acetamido-5-chlorophenyl)-phenylmethyl]amino]acetate

methyl 2-[[(R)-(2-acetamido-5-chlorophenyl)-phenylmethyl]amino]acetate (PubChem CID 788320) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is methyl 2-[[(R)-(2-acetamido-5-chlorophenyl)-phenylmethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(R)-(2-acetamido-5-chlorophenyl)-phenylmethyl]amino]acetate
PubChem CID788320
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Namemethyl 2-[[(R)-(2-acetamido-5-chlorophenyl)-phenylmethyl]amino]acetate
SMILESCOC(=O)CN[C@H](c1ccccc1)c1cc(Cl)ccc1NC(C)=O
InChIInChI=1S/C18H19ClN2O3/c1-12(22)21-16-9-8-14(19)10-15(16)18(20-11-17(23)24-2)13-6-4-3-5-7-13/h3-10,18,20H,11H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyMVODYZGXMYGHDS-GOSISDBHSA-N
XLogP3.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(S)-(2-acetamido-5-bromophenyl)-phenylmethyl]amino]acetate
CID 1373152
N-[4-chloro-2-[[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]acetamide
CID 3780295
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
methyl 2-[[[5-bromo-2-(3-chloropropanoylamino)phenyl]-phenylmethyl]amino]acetate
CID 3108120
ethyl 2-[[(2-amino-5-chlorophenyl)-phenylmethyl]amino]acetate
CID 13174365
N-[4-chloro-2-[(R)-[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]benzamide
CID 1162895
N-[4-chloro-2-[(S)-[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]benzamide
CID 1162893
methyl 2-[[(R)-[5-bromo-2-[(2-bromobenzoyl)amino]phenyl]-phenylmethyl]amino]acetate
CID 1354248
methyl 2-[[(S)-[5-bromo-2-[(2-bromobenzoyl)amino]phenyl]-phenylmethyl]amino]acetate
CID 1354246
methyl 2-[[[5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate
CID 3694669
methyl 2-(2-acetamido-5-chloroanilino)acetate
CID 60603139

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(R)-(2-acetamido-5-chlorophenyl)-phenylmethyl]amino]acetate?
The IUPAC name of methyl 2-[[(R)-(2-acetamido-5-chlorophenyl)-phenylmethyl]amino]acetate (CID 788320) is methyl 2-[[(R)-(2-acetamido-5-chlorophenyl)-phenylmethyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(R)-(2-acetamido-5-chlorophenyl)-phenylmethyl]amino]acetate?
The canonical SMILES for methyl 2-[[(R)-(2-acetamido-5-chlorophenyl)-phenylmethyl]amino]acetate is COC(=O)CN[C@H](c1ccccc1)c1cc(Cl)ccc1NC(C)=O.
What is the InChIKey of methyl 2-[[(R)-(2-acetamido-5-chlorophenyl)-phenylmethyl]amino]acetate?
The InChIKey is MVODYZGXMYGHDS-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12(22)21-16-9-8-14(19)10-15(16)18(20-11-17(23)24-2)13-6-4-3-5-7-13/h3-10,18,20H,11H2,1-2H3,(H,21,22)/t18-/m1/s1.
What are the key properties of methyl 2-[[(R)-(2-acetamido-5-chlorophenyl)-phenylmethyl]amino]acetate?
methyl 2-[[(R)-(2-acetamido-5-chlorophenyl)-phenylmethyl]amino]acetate has a molecular weight of 346.81 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(R)-(2-acetamido-5-chlorophenyl)-phenylmethyl]amino]acetate is sourced from PubChem (CID 788320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).