tert-butyl N-[[3-(5-carbamoyl-2-chlorophenyl)phenyl]methyl]carbamate

C19H21ClN2O3 — CID 170714712

IUPACtert-butyl N-[[3-(5-carbamoyl-2-chlorophenyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(-c2cc(C(N)=O)ccc2Cl)c1
InChIInChI=1S/C19H21ClN2O3/c1-19(2,3)25-18(24)22-11-12-5-4-6-13(9-12)15-10-14(17(21)23)7-8-16(15)20/h4-10H,11H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeyTVMSHSDFEMORFD-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.13
Rot. Bonds4

About tert-butyl N-[[3-(5-carbamoyl-2-chlorophenyl)phenyl]methyl]carbamate

tert-butyl N-[[3-(5-carbamoyl-2-chlorophenyl)phenyl]methyl]carbamate (PubChem CID 170714712) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is tert-butyl N-[[3-(5-carbamoyl-2-chlorophenyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(5-carbamoyl-2-chlorophenyl)phenyl]methyl]carbamate
PubChem CID170714712
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Nametert-butyl N-[[3-(5-carbamoyl-2-chlorophenyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(-c2cc(C(N)=O)ccc2Cl)c1
InChIInChI=1S/C19H21ClN2O3/c1-19(2,3)25-18(24)22-11-12-5-4-6-13(9-12)15-10-14(17(21)23)7-8-16(15)20/h4-10H,11H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeyTVMSHSDFEMORFD-UHFFFAOYSA-N
XLogP4.13
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate
CID 141438103
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tert-butyl N-[2-[3-(3-carbamoylphenyl)phenyl]ethyl]carbamate
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tert-butyl N-[[3-(3-hydroxyphenyl)phenyl]methyl]carbamate
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tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate
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tert-butyl N-[[3-[5-(hydroxymethyl)-1-benzofuran-7-yl]phenyl]methyl]carbamate;ethane
CID 153350458
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamic acid
CID 143553778
methyl 7-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1,3-benzoxazole-5-carboxylate
CID 138491589
tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate
CID 66616766
tert-butyl N-[[3-(5-cyano-2-methoxyphenyl)phenyl]methyl]carbamate
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tert-butyl N-[(3-chlorosulfonylphenyl)methyl]carbamate
CID 130114902

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(5-carbamoyl-2-chlorophenyl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(5-carbamoyl-2-chlorophenyl)phenyl]methyl]carbamate (CID 170714712) is tert-butyl N-[[3-(5-carbamoyl-2-chlorophenyl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(5-carbamoyl-2-chlorophenyl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(5-carbamoyl-2-chlorophenyl)phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cccc(-c2cc(C(N)=O)ccc2Cl)c1.
What is the InChIKey of tert-butyl N-[[3-(5-carbamoyl-2-chlorophenyl)phenyl]methyl]carbamate?
The InChIKey is TVMSHSDFEMORFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-19(2,3)25-18(24)22-11-12-5-4-6-13(9-12)15-10-14(17(21)23)7-8-16(15)20/h4-10H,11H2,1-3H3,(H2,21,23)(H,22,24).
What are the key properties of tert-butyl N-[[3-(5-carbamoyl-2-chlorophenyl)phenyl]methyl]carbamate?
tert-butyl N-[[3-(5-carbamoyl-2-chlorophenyl)phenyl]methyl]carbamate has a molecular weight of 360.84 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(5-carbamoyl-2-chlorophenyl)phenyl]methyl]carbamate is sourced from PubChem (CID 170714712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).