(4-chlorophenyl)methyl N-[4-[[(2-methylpyrimidine-5-carbonyl)amino]methyl]phenyl]carbamate

C21H19ClN4O3 — CID 171824141

IUPAC(4-chlorophenyl)methyl N-[4-[[(2-methylpyrimidine-5-carbonyl)amino]methyl]phenyl]carbamate
SMILESCc1ncc(C(=O)NCc2ccc(NC(=O)OCc3ccc(Cl)cc3)cc2)cn1
InChIInChI=1S/C21H19ClN4O3/c1-14-23-11-17(12-24-14)20(27)25-10-15-4-8-19(9-5-15)26-21(28)29-13-16-2-6-18(22)7-3-16/h2-9,11-12H,10,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyJPOVXXZEYYHCTM-UHFFFAOYSA-N
MW410.86 g/mol
LogP4.12
Rot. Bonds6

About (4-chlorophenyl)methyl N-[4-[[(2-methylpyrimidine-5-carbonyl)amino]methyl]phenyl]carbamate

(4-chlorophenyl)methyl N-[4-[[(2-methylpyrimidine-5-carbonyl)amino]methyl]phenyl]carbamate (PubChem CID 171824141) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is (4-chlorophenyl)methyl N-[4-[[(2-methylpyrimidine-5-carbonyl)amino]methyl]phenyl]carbamate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl N-[4-[[(2-methylpyrimidine-5-carbonyl)amino]methyl]phenyl]carbamate
PubChem CID171824141
Molecular FormulaC21H19ClN4O3
Molecular Weight410.86 g/mol
Exact Mass410.11
IUPAC Name(4-chlorophenyl)methyl N-[4-[[(2-methylpyrimidine-5-carbonyl)amino]methyl]phenyl]carbamate
SMILESCc1ncc(C(=O)NCc2ccc(NC(=O)OCc3ccc(Cl)cc3)cc2)cn1
InChIInChI=1S/C21H19ClN4O3/c1-14-23-11-17(12-24-14)20(27)25-10-15-4-8-19(9-5-15)26-21(28)29-13-16-2-6-18(22)7-3-16/h2-9,11-12H,10,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyJPOVXXZEYYHCTM-UHFFFAOYSA-N
XLogP4.12
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chlorophenyl)methyl N-[4-[[(3,4-dimethyl-1,2-oxazole-5-carbonyl)amino]methyl]phenyl]carbamate
CID 171824672
(4-chlorophenyl)methyl N-[4-[[methyl-(6-methylpyridine-3-carbonyl)amino]methyl]phenyl]carbamate
CID 171824839
(4-chlorophenyl)methyl N-[4-[(carbonocyanidoylamino)methyl]phenyl]carbamate
CID 171824303
2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257635
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257576
(4-chlorophenyl)methyl N-[4-[[methyl-(2-methyl-1,3-oxazole-5-carbonyl)amino]methyl]phenyl]carbamate
CID 171824417
N-[[4-(carbamoylamino)phenyl]methyl]-4-chlorobenzamide
CID 52552945
(4-chlorophenyl)methyl N-[4-(2-oxoethyl)phenyl]carbamate
CID 171824056
(1-methylpyridin-1-ium-4-yl)methyl N-(4-chlorophenyl)carbamate iodide
CID 163342725
6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109156061
(4-chlorophenyl)methyl N-[4-[[[2-(oxan-4-yl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate
CID 171824487
(4-chlorophenyl)methyl N-[4-[(1S)-1-[(5-methyl-1,3-oxazole-2-carbonyl)amino]ethyl]phenyl]carbamate
CID 171824006

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl N-[4-[[(2-methylpyrimidine-5-carbonyl)amino]methyl]phenyl]carbamate?
The IUPAC name of (4-chlorophenyl)methyl N-[4-[[(2-methylpyrimidine-5-carbonyl)amino]methyl]phenyl]carbamate (CID 171824141) is (4-chlorophenyl)methyl N-[4-[[(2-methylpyrimidine-5-carbonyl)amino]methyl]phenyl]carbamate.
What is the SMILES notation for (4-chlorophenyl)methyl N-[4-[[(2-methylpyrimidine-5-carbonyl)amino]methyl]phenyl]carbamate?
The canonical SMILES for (4-chlorophenyl)methyl N-[4-[[(2-methylpyrimidine-5-carbonyl)amino]methyl]phenyl]carbamate is Cc1ncc(C(=O)NCc2ccc(NC(=O)OCc3ccc(Cl)cc3)cc2)cn1.
What is the InChIKey of (4-chlorophenyl)methyl N-[4-[[(2-methylpyrimidine-5-carbonyl)amino]methyl]phenyl]carbamate?
The InChIKey is JPOVXXZEYYHCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3/c1-14-23-11-17(12-24-14)20(27)25-10-15-4-8-19(9-5-15)26-21(28)29-13-16-2-6-18(22)7-3-16/h2-9,11-12H,10,13H2,1H3,(H,25,27)(H,26,28).
What are the key properties of (4-chlorophenyl)methyl N-[4-[[(2-methylpyrimidine-5-carbonyl)amino]methyl]phenyl]carbamate?
(4-chlorophenyl)methyl N-[4-[[(2-methylpyrimidine-5-carbonyl)amino]methyl]phenyl]carbamate has a molecular weight of 410.86 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl N-[4-[[(2-methylpyrimidine-5-carbonyl)amino]methyl]phenyl]carbamate is sourced from PubChem (CID 171824141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).